SCHEMBL1328328

SCHEMBL1328328

COc1c(C(=O)O)csc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TPMT P51580 1/20 0.40
FFAR2 O15552 1/20 0.39
TSHR P16473 1/20 0.38
DAO P14920 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.36
PKM P14618 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
SCHEMBL3060301 0.85 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4004768 0.85 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7963288 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7963283 0.83 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11469443 0.80 MEN1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5153986 0.78 HSD17B10 (0.42) NPC1RAB9APOLBHSD17B10KDM4E
SCHEMBL8244073 0.78 MAPT (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2745234 0.77 NPC1 (0.59) NPC1RAB9APOLBHSD17B10KDM4E
SCHEMBL8496615 0.76 HSD17B10 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11975679 0.74 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
US-11269251-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-08 US disclosed
US-20190113844-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
EP-0371594-B1 Thiophene-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1994-02-16 EP disclosed
US-5015656-A Antidepressants, anxiolytic compounds, central nervous system active compounds for psychotic conditions, aminoalkylcarboxami de derivatives of thiophene LILLY S.A. (ES) 1991-05-14 US disclosed
EP-0371594-A1 Thiophene-carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1990-06-06 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 (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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R MEN1 1779/4885KMT2A 2886/4885NPC1 112/4885

“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.