SCHEMBL8055595

SCHEMBL8055595

C=Cc1ccsc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.49
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK10 P53779 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL5187882 0.84 KMT2A (0.51) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL491221 0.77 PTPN2 (0.43) KMT2AHPGDNPC1MEN1L3MBTL1
SCHEMBL31097077 0.76 BCAT2 (0.46) KMT2ASMN1; SMN2NPC1MEN1KDM4E
SCHEMBL15286465 0.74 KMT2A (0.50) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL15295277 0.74 KMT2A (0.50) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL4749594 0.73 SMN1; SMN2 (0.64) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL70575 0.73 KMT2A (0.56) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL157777 0.73 HPGD (0.70) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL375957 0.73 KMT2A (0.56) KMT2AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL538048 0.73 NPC1 (0.63) KMT2AHPGDSMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356695-B Novel tricyclic compounds 北京加科思新药研发有限公司 2022-12-30 CN disclosed
CN-111356695-A Novel tricyclic compounds 北京加科思图新药研发有限公司 2020-06-30 CN disclosed
US-8222203-B2 Macrocyclic oximyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-8222203-B2 Macrocyclic oximyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20090180984-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180984-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009079352-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090180984-A1 MACROCYCLIC OXIMYL HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, HPN, PRSS1 KMT2A 2340/4885HPGD 682/4885SMN1; SMN2 2899/4885

“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.