SCHEMBL577650

SCHEMBL577650

COC(=O)c1cc(O)c(C(=O)OC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
OPRD1 P41143 1/20 0.45
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 3/20 0.44
XDH P47989 2/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
HPGD P15428 5/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL577651 0.90 MAPT (0.44) MAPTTSHRKMT2AHSD17B10KDM4E
SCHEMBL29997056 0.90 OPRD1 (0.39) MAPTTSHRKMT2AHSD17B10OPRD1
SCHEMBL1561317 0.89 OPRD1 (0.43) MAPTTSHROPRD1KDM4EL3MBTL1
SCHEMBL17203079 0.86 GSK3B (0.52) MAPTKMT2AKDM4EL3MBTL1GAA
SCHEMBL8928677 0.84 KMT2A (0.39) MAPTTSHRKMT2AHSD17B10OPRD1
SCHEMBL29997803 0.81 COMT (0.50) MAPTKMT2AOPRD1KDM4EL3MBTL1
SCHEMBL9529269 0.80 TSHR (0.45) MAPTTSHRKMT2AHSD17B10KDM4E
SCHEMBL7670938 0.80 TSHR (0.45) MAPTTSHRKMT2AHSD17B10KDM4E
SCHEMBL11522285 0.78 MAPT (0.49) MAPTTSHRKMT2AHSD17B10OPRD1
SCHEMBL31078545 0.78 DAO (0.44) MAPTTSHROPRD1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092067-A1 APT1 and APT2 Inhibitors and Uses Thereof CORNELL UNIVERSITY 2025-03-20 US disclosed
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US disclosed
WO-2022246115-A1 APT1 AND APT2 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2022-11-24 WO disclosed
EP-4069369-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-10-12 EP disclosed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 WO disclosed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 WO disclosed
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
CN-102149703-B Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers LAILA NUTRACEUTICALS 2014-09-10 CN disclosed
EP-2324006-B1 Anti-cancer drugs and uses relating thereto for metastatic malignant melanoma and other cancers KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2014-08-13 EP disclosed
EP-2007757-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-10-03 EP disclosed
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS LAILA NUTRACEUTICALS (IN) 2010-03-18 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 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-2007120760-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
US-4720503-A N-substituted fused-heterocyclic carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-01-19 US disclosed
US-4155996-A PESTICIDES ROUSSEL UCLAF (FR) 1979-05-22 US disclosed
US-4128562-A PESTICIDE ROUSSEL UCLAF (FR) 1978-12-05 US 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 (4 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-20250092067-A1 APT1 and APT2 Inhibitors and Uses Thereof LYPLA2, LYPLA1, PPT1 MAPT 1005/4885TSHR 3450/4885KMT2A 686/4885
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 MAPT 4534/4885TSHR 3688/4885KMT2A 3791/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 MAPT 1279/4885TSHR 2596/4885KMT2A 784/4885
US-20100068178-A1 ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS BRAF, NRAS, TP53 MAPT 20/4885TSHR 2319/4885KMT2A 2637/4885

“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.