SCHEMBL2586500

SCHEMBL2586500

CC(C)n1ccc2c(C(=O)O)cc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.37
CYP2C19 P33261 1/20 0.37
FKBP1A P62942 1/20 0.36
NOTUM Q6P988 2/20 0.36
RORC P51449 2/20 0.36
TAS2R14 Q9NYV8 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
EZH2 Q15910 1/20 0.35
MGLL Q99685 1/20 0.35
RXRG P48443 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX12 P18054 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
SCHEMBL17970391 0.84 MGLL (0.35) NOTUMRORCEZH2MGLL
SCHEMBL16116306 0.83 CREBBP (0.43) RXRARXRBALDH1A1CYP2C19NOTUM
SCHEMBL12180506 0.81 EZH2 (0.37) ALDH1A1HPGDKDM4EHSD17B10NOTUM
SCHEMBL2642800 0.81 ALDH1A1 (0.44) RXRARXRBALDH1A1HPGDKDM4E
SCHEMBL17970375 0.80 EZH2 (0.37) ALDH1A1KDM4EHSD17B10EZH2MGLL
SCHEMBL14727054 0.80 EZH2 (0.40) ALDH1A1KDM4EHSD17B10NOTUMEZH2
SCHEMBL12180507 0.78 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10NOTUM
SCHEMBL2594898 0.78 NR4A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10AKR1C3
SCHEMBL2595998 0.78 EZH2 (0.37) ALDH1A1KDM4EHSD17B10EZH2MGLL
SCHEMBL16116155 0.77 GRIN2B (0.39) AKR1C2EZH2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (2 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-20130053397-A1 INDOLES IDO1, IDO2, INMT RXRA 3255/4885RXRB 3042/4885ALDH1A1 45/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT RXRA 3220/4885RXRB 3032/4885ALDH1A1 38/4885

“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.