SCHEMBL17438680

SCHEMBL17438680

Cc1ccc(-c2ccc[c]c2SCc2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.38
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
EGFR P00533 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B2 P37059 1/20 0.34
PKM P14618 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL17438712 0.78 RAB9A (0.47) S100A4RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL24245 0.76 APP (0.35) S100A4RAB9ASMN1; SMN2NPC1HSD17B2
SCHEMBL2965652 0.76 S100A4 (0.39) S100A4RAB9ASMN1; SMN2NPC1EGFR
SCHEMBL1707607 0.75 RAB9A (0.41) S100A4RAB9ASMN1; SMN2NPC1EGFR
SCHEMBL6469994 0.72 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18905 0.71 POLB (0.55) S100A4RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1247110 0.70 TDP1 (0.40) S100A4RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6981693 0.70 LMNA (0.39) RAB9ASMN1; SMN2NPC1HPGDTDP1
SCHEMBL2196143 0.69 RAB9A (0.37) S100A4RAB9ASMN1; SMN2NPC1EGFR
SCHEMBL6468673 0.69 TP53 (0.42) S100A4RAB9ATP53KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 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 (3 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 S100A4 1949/4885RAB9A 4220/4885SMN1; SMN2 3960/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 S100A4 2312/4885RAB9A 4272/4885SMN1; SMN2 3865/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 S100A4 1949/4885RAB9A 4220/4885SMN1; SMN2 3960/4885

“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.