SCHEMBL16589048

SCHEMBL16589048

CC(=O)N[C@@H](CS)C(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.39
▸ ACE P12821 1/20 0.37
▸ FOLH1 Q04609 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12229216 1.00 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12506322 0.84 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13142865 0.83 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL473922 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18827257 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24850734 0.81 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16577186 0.80 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9962914 0.78 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13295204 0.78 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23143030 0.78 MAPT (0.39) KDM4EMAPTTHRBALOX15NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208014-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2019-02-19 — — US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 — — US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 — — US disclosed
US-9738631-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-08-22 — — US disclosed
US-9642915-B2 Compositions and methods for the treatment of neuromuscular disorders and neurodegenerative diseases CELLIX BIO PRIVATE LIMITED (IN) 2017-05-09 — — US disclosed
US-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 — — US disclosed
US-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 — — US disclosed
US-9522884-B2 Compositions and methods for the treatment of metabolic disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-12-20 — — US disclosed
US-9498461-B2 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 — — US disclosed
US-9499526-B2 Compositions and methods for the treatment of neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 — — US disclosed
US-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 — — US disclosed
US-20150126567-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FAMILIAL AMYLOID POLYNEUROPATHY CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 — — US disclosed
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 — — US disclosed
US-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 — — US disclosed
US-20150119453-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 — — US disclosed
US-20150111932-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-23 — — US disclosed
US-20150087674-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SEVERE PAIN KANDULA MAHESH (IN) 2015-03-26 — — US disclosed
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN KANDULA MAHESH (IN) 2015-03-26 — — US disclosed
US-20150087670-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-03-26 — — US disclosed
US-20150087660-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC DISEASES AND INFLAMMATORY DISORDERS KANDULA MAHESH (IN) 2015-03-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY LTA4H, LTC4S, ALOX5 KDM4E 4020/4885MAPT 2832/4885THRB 2446/4885
US-20150087674-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SEVERE PAIN OPRK1, OPRM1, OPRD1 KDM4E 3697/4885MAPT 122/4885THRB 1729/4885
US-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS F2, F12, F5 KDM4E 4600/4885MAPT 2680/4885THRB 985/4885
US-20150126567-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FAMILIAL AMYLOID POLYNEUROPATHY TTR, TNNC1, APP KDM4E 4853/4885MAPT 26/4885THRB 1738/4885
US-20150119453-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION BRCA1, APC, MSH2 KDM4E 4398/4885MAPT 123/4885THRB 1688/4885
US-20150087670-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS HLA-DRB1, TRPV1, NDUFB11 KDM4E 4843/4885MAPT 215/4885THRB 2573/4885
US-20150111932-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DEGENERATIVE DISORDERS LPXN, HNRNPU, KYNU KDM4E 4587/4885MAPT 221/4885THRB 2245/4885
US-10208014-B2 Compositions and methods for the treatment of neurological disorders APC, PSEN1, APP KDM4E 3858/4885MAPT 10/4885THRB 2856/4885
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN TNNC1, MUSK, OPRK1 KDM4E 4737/4885MAPT 991/4885THRB 2285/4885
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE PARK7, HTT, SNCA KDM4E 4838/4885MAPT 11/4885THRB 4112/4885
US-20150087660-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC DISEASES AND INFLAMMATORY DISORDERS IL1B, IAPP, CXCL12 KDM4E 4376/4885MAPT 852/4885THRB 450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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