SCHEMBL5186145

SCHEMBL5186145

O=C(O)c1c(F)c(F)cc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRE P23469 1/20 0.45
PTPN6 P29350 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KEAP1 Q14145 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
TNF P01375 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL1397792 0.85 PTPRC (0.44) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL621046 0.83 PTPRC (0.43) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL5188348 0.81 PTPRC (0.41) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL5188581 0.79 PTPRC (0.55) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL2535930 0.75 GPR84 (0.50) KEAP1GPR84IKBKBCHUKTNF
SCHEMBL121721 0.74 CYP2D6 (0.50) KDM4EALDH1A1HPGDENPP2HSD17B10
Bicarbonate SCHEMBL6221914 0.73 CYP2D6 (0.43) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL29047547 0.72 AURKA (0.40) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL5187370 0.71 KEAP1 (0.58) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL31438296 0.71 PTPRC (0.58) PTPRCPTPN2PTPN1PTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP PTPRC 3690/4885PTPN2 4025/4885PTPN1 2788/4885

“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.