SCHEMBL3918753

SCHEMBL3918753

CCOC(=O)COc1c(C#N)sc(-c2cccc(N)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.53
SQOR Q9Y6N5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
F9 P00740 2/20 0.38
F10 P00742 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3912238 0.84 PTPN1 (0.61) PTPN1PTPRCPTPN2
SCHEMBL3916800 0.80 PTPN1 (0.60) PTPN1PTPRCPTPN2
SCHEMBL3917669 0.80 PTPN1 (0.40) PTPN1SQOR
SCHEMBL3906486 0.79 PTPN1 (0.61) PTPN1PTPRCPTPN2
SCHEMBL3917670 0.79 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3909106 0.78 PTPN1 (0.63) PTPN1PTPRCPTPN2
SCHEMBL13877868 0.78 PTPN1 (0.53) PTPN1PTPRCPTPN2
SCHEMBL3905285 0.77 PTPN1 (0.58) PTPN1SQORF9F10PTPN2
SCHEMBL3911409 0.76 PTPN1 (0.48) PTPN1SMN1; SMN2F9F10KDM4E
SCHEMBL3906402 0.76 PTPN1 (0.58) PTPN1SMN1; SMN2PTPRCPTPN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885SQOR 851/4885SMN1; SMN2 4531/4885

“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.