SCHEMBL161928

SCHEMBL161928

COC(=O)c1cc([O])cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 1/20 0.43
DAO P14920 1/20 0.41
NPSR1 Q6W5P4 4/20 0.39
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1529765 0.79 CES2 (0.59) CTPS1DAONPSR1LMNAPPARG
SCHEMBL70248 0.79 CA1 (0.47) CTPS1DAONPSR1LMNAPPARG
SCHEMBL294584 0.79 CA12 (0.47) CTPS1DAONPSR1LMNAPPARG
SCHEMBL131369 0.79 DAO (0.67) CTPS1DAONPSR1LMNAPPARG
SCHEMBL162996 0.79 CA12 (0.43) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL160666 0.79 ALDH1A1 (0.36) CTPS1DAONPSR1LMNAALDH1A1
SCHEMBL160967 0.79 CA12 (0.43) ALDH1A1HPGDKDM4EMAPK1NPC1
SCHEMBL166310 0.78
SCHEMBL25399448 0.78 OPRD1 (0.45) CTPS1DAONPSR1LMNAPPARG
SCHEMBL21713056 0.78 CES2 (0.57) CTPS1DAONPSR1LMNAPPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 CTPS1 3346/4885DAO 1270/4885NPSR1 4694/4885

“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.