SCHEMBL18171382

SCHEMBL18171382

CS(=O)(=O)/C(C#N)=N\OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 6/20 0.40
CA1 P00915 4/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CA9 Q16790 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PPARG P37231 2/20 0.38
S1PR1 P21453 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 2/20 0.37
CA12 O43570 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL16791914 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL18171383 0.84 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL16791898 0.84 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL10401106 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL9464386 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL9517517 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL17065127 0.72 KMT2A (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL10401418 0.71 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL10401417 0.71 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1CA2
SCHEMBL17257651 0.70 RAB9A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189780-B2 Bicyclic alkyl compounds and synthesis Zeno Royalties & Milestones, LLC (US) 2019-01-29 US disclosed
US-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2016-10-27 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 (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-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS AP1M1, CYP1B1, CYP2C9 NPC1 311/4885RAB9A 123/4885SMN1; SMN2 2977/4885
US-10189780-B2 Bicyclic alkyl compounds and synthesis AP1M1, CYP1B1, CYP2C9 NPC1 311/4885RAB9A 123/4885SMN1; SMN2 2977/4885

“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.