SCHEMBL1615367

SCHEMBL1615367

O=C(O)c1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SRD5A2 P31213 3/20 0.47
ANPEP P15144 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL14593355 0.82 ESR1 (0.48) ALDH1A1CES2CES1NR1I2
SCHEMBL27353205 0.82 GABBR2 (0.54) CES2CES1HPGDSMN1; SMN2
SCHEMBL3568786 0.82 CES2 (0.46) TSHRALDH1A1HSD17B10CES2CES1
SCHEMBL9008920 0.81 ESR1 (0.58) TSHRTP53ALDH1A1HSD17B10CES2
SCHEMBL4860270 0.81 TSHR (0.52) TSHRTP53ALDH1A1HSD17B10CES2
SCHEMBL9184984 0.79 TSHR (0.50) TSHRTP53ALDH1A1SRD5A2ANPEP
SCHEMBL204589 0.79 TSHR (0.51) TSHRTP53ALDH1A1HSD17B10CES2
SCHEMBL19111516 0.79 CES2 (0.43) ALDH1A1CES2CES1NR1I2
SCHEMBL14342568 0.78 DEGS1 (0.49) TSHRTP53ALDH1A1HSD17B10SRD5A2
SCHEMBL3111366 0.78 TSHR (0.48) TSHRTP53ALDH1A1HSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3031238-A None JP disclosed
WO-2024182271-A1 FUSED HETEROTETRACYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-7923587-B2 Anti-oxidant macromonomers and polymers and methods of making and using the same POLNOX CORPORATION (US) 2011-04-12 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
EP-1771530-B1 ANTI-OXIDANT MACROMONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME POLNOX CORP (US) 2009-09-09 EP disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
US-20080311065-A1 Anti-oxidant macromonomers and polymers and methods of making and using the same POLNOX CORPORATION 2008-12-18 US disclosed
EP-1776394-A2 ANTI-OXIDANT MACROMONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME Polnox Corporation (US) 2007-04-25 EP disclosed
EP-1771530-A2 ANTI-OXIDANT MACROMONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME Polnox Corporation (US) 2007-04-11 EP disclosed
US-20060041087-A1 Anti-oxidant macromonomers and polymers and methods of making and using the same POLNOX CORPORATION 2006-02-23 US disclosed
US-20060041094-A1 Anti-oxidant macromonomers and polymers and methods of making and using the same POLNOX CORPORATION 2006-02-23 US disclosed
WO-2006014674-A2 ANTI-OXIDANT MACROMONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION (US) 2006-02-09 WO disclosed
WO-2006014605-A2 ANTI-OXIDANT MACROMONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION (US) 2006-02-09 WO disclosed
JP-H0331238-A OPTICALLY ACTIVE FLUORINE-CONTAINING BENZOIC ACID DERIVATIVE KASHIMA SEKIYU KK 1991-02-12 JP 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 (5 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-20080311065-A1 Anti-oxidant macromonomers and polymers and methods of making and using the same GPX4, LPO, GPX1 TSHR 4607/4885TP53 2314/4885ALDH1A1 167/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TSHR 2430/4885TP53 758/4885ALDH1A1 4726/4885
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR TSHR 4423/4885TP53 878/4885ALDH1A1 3391/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK TSHR 2430/4885TP53 758/4885ALDH1A1 4726/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 TSHR 1897/4885TP53 3529/4885ALDH1A1 1689/4885

“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.