SCHEMBL7591773

SCHEMBL7591773

COc1csc(CC(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
Bromide SCHEMBL7755487 0.79 RAB9A (0.50) KDM4EGLAKMT2ANPC1RAB9A
SCHEMBL7596461 0.78 KDM4E (0.50) KDM4EGLAKMT2ANPC1RAB9A
SCHEMBL28409129 0.77 KDM4E (0.49) KDM4EGLAKMT2ANPC1RAB9A
Bromide SCHEMBL4939891 0.77 KDM4E (0.49) KDM4EGLAKMT2ANPC1RAB9A
SCHEMBL723821 0.74 CES2 (0.42) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL4942645 0.71 KDM4E (0.43) KDM4EGLAKMT2ANPC1RAB9A
SCHEMBL6134151 0.71 NNMT (0.45) KDM4EGLAKMT2ANPC1RAB9A
SCHEMBL24160984 0.69 ADORA3 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6818113 0.69 KMT2A (0.53) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27664391 0.68 RAB9A (0.73) KDM4EGLAKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
EP-1244678-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2001046206-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 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-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA KDM4E 2105/4885GLA 1706/4885KMT2A 3478/4885

“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.