SCHEMBL413958

SCHEMBL413958

CCCC(C)CCCC(S)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.48
▸ RNPEP Q9H4A4 3/20 0.48
▸ BLM P54132 1/20 0.47
▸ FOLH1 Q04609 1/20 0.43
▸ CHRM1 P11229 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CA2 P00918 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL7020554 0.81 — —
SCHEMBL29907806 0.81 RNPEP (0.58) ACE2RNPEPFOLH1CHRM1AKR1A1
SCHEMBL30542 0.81 — —
SCHEMBL2976825 0.80 — —
SCHEMBL204061 0.80 — —
SCHEMBL2977541 0.80 — —
SCHEMBL5476409 0.80 RNPEP (0.68) RNPEPBLMFOLH1CHRM1AKR1A1
SCHEMBL8939040 0.79 BLM (0.73) ACE2BLMCHRM1AKR1A1CHRM3
SCHEMBL414209 0.79 RNPEP (0.58) ACE2RNPEPFOLH1CHRM1AKR1A1
SCHEMBL31632559 0.79 BLM (0.73) ACE2BLMCHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240779-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISORDERS CELLIX BIO PRIVATE LTD (IN) 2020-10-28 — — EP disclosed
US-9932294-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-04-03 — — US disclosed
EP-2542547-B1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION OR HEPATIC DISORDERS KRISANI BIOSCIENCE (P) LTD (IN) 2018-01-24 — — EP disclosed
EP-3240779-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISORDERS Cellixbio Private Limited (IN) 2017-11-08 — — EP disclosed
EP-3226855-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2017-10-11 — — EP disclosed
US-9771355-B2 Compositions and methods for the treatment of epilepsy and neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-09-26 — — US disclosed
WO-2017060914-A2 PENICILLAMINE AND ITS DERIVATIVES ARE USED IN THE TREATMENT OF COPPER TOXICITY AND NASH Krisani Biosciences (P) Ltd. (IN) 2017-04-13 — — WO disclosed
EP-2580204-B1 CYSTEAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NASH KRISANI BIOSCIENCE (P) LTD (IN) 2017-03-08 — — EP disclosed
WO-2016088132-A9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-09-01 — — WO disclosed
WO-2016088132-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-06-09 — — WO disclosed
WO-2011107877-A2 COMPOUNDS AND COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 — — WO disclosed
WO-2011107867-A2 COMPOUND AND COMPOSITION AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 — — WO disclosed
WO-2011107881-A2 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF KANDULA MAHESH (IN) 2011-09-09 — — WO disclosed
WO-2011107870-A2 COMPOUNDS AND COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 — — WO disclosed
US-20110218238-A1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 — — US disclosed
US-20110218237-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD. (IN) 2011-09-08 — — US disclosed
US-20110218236-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 — — US disclosed
US-20110218235-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 — — US disclosed
EP-0947503-B1 6,8-Dimethylmercaptooctanoic acid derivatives substituted on 6-S and/or 8-S by the 3-methylthiopropanoyl radical and pharmaceutical compositions for the treatment of cancerous tumours GALDERMA RES & DEV (FR) 2001-11-21 — — EP disclosed
EP-0947503-A1 6,8-Dimethylmercaptooctanoic acid derivatives substituted on 6-S and/or 8-S by the 3-methylthiopropanoyl radical and pharmaceutical compositions for the treatment of cancerous tumours Galderma Research & Development, S.N.C. (FR) 1999-10-06 — — EP 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 (4 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-20110218237-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC26A4, SLC26A3, SLC10A1 ACE2 3401/4885RNPEP 4679/4885BLM 2630/4885
US-20110218236-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC26A4, SLC26A3, SLC10A1 ACE2 3401/4885RNPEP 4679/4885BLM 2630/4885
US-20110218238-A1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF SLC10A1, ABCB11, NPC1L1 ACE2 3075/4885RNPEP 4442/4885BLM 1657/4885
US-20110218235-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC10A1, CYP7A1, SLC39A11 ACE2 2721/4885RNPEP 4513/4885BLM 2732/4885

“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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