SCHEMBL577651

SCHEMBL577651

COC(=O)c1sc(C(=O)O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR35 Q9HC97 2/20 0.43
KDM4E B2RXH2 4/20 0.42
DAO P14920 3/20 0.42
XDH P47989 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 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
SCHEMBL577650 0.90 MAPT (0.45) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL8928677 0.82 KMT2A (0.39) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL23459994 0.81 GPR35 (0.50) MAPTKMT2AHSD17B10GPR35KDM4E
SCHEMBL17203079 0.81 GSK3B (0.52) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL29997056 0.81 OPRD1 (0.39) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL12272115 0.81 MAPT (0.57) MAPTKMT2ATSHRHSD17B10GPR35
SCHEMBL29953733 0.80 GPR35 (0.46) MAPTKMT2AGPR35KDM4EDAO
SCHEMBL1561317 0.79 OPRD1 (0.43) MAPTTSHRKDM4EXDHLMNA
SCHEMBL12272132 0.79 DAO (0.55) MAPTKMT2ATSHRHSD17B10GPR35
SCHEMBL17203200 0.79 MAPT (0.42) MAPTKMT2ATSHRHSD17B10GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329329-A A method of synthesis methylol EDOT 贝利化学(张家港)有限公司 2018-07-27 CN disclosed
EP-2007757-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-10-03 EP disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
EP-2418210-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2012-02-15 EP disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
EP-2007757-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
WO-2007120760-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
WO-2007014249-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME JOHNS HOPKINS UNIVERSITY (US) 2007-02-01 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-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 MAPT 2922/4885KMT2A 4580/4885TSHR 326/4885
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 MAPT 1279/4885KMT2A 784/4885TSHR 2596/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 MAPT 1279/4885KMT2A 784/4885TSHR 2596/4885

“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.