SCHEMBL20622862

SCHEMBL20622862

CC(=O)NC(CS)C(=O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ PTGS2 P35354 1/20 0.63
▸ THPO P40225 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.45
▸ ACE P12821 1/20 0.42
▸ FOLH1 Q04609 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ MTNR1A P48039 6/20 0.30
▸ MTNR1B P49286 6/20 0.30

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
SCHEMBL16549458 1.00 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17324228 0.83 ACE (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25827840 0.83 ACE (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24451298 0.82 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10308362 0.81 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL19486079 0.80 ALDH1A1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12537161 0.80 ALDH1A1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12017867 0.80 ALDH1A1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12537158 0.80 ALDH1A1 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23685280 0.80 KDM4E (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332749-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-10-20 — — US disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
WO-2022084738-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 — — WO disclosed
WO-2019005966-A1 DENDRIMER DRUG CONJUGATES FOR SUSTAINED INTRA-ARTICULAR DELIVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-03 — — WO 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 (2 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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 KDM4E 4472/4885MAPT 2605/4885THRB 2624/4885
US-20220332749-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MPO, MUC1, CRYAB KDM4E 3937/4885MAPT 2373/4885THRB 1852/4885

“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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