SCHEMBL2875993

SCHEMBL2875993

Nc1cc(C(=O)CCC(=O)O)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.49
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KMO O15229 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FFAR1 O14842 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL10708232 0.86 ALDH1A1 (0.50) USP5KMT2ANR4A2KMOPKM
SCHEMBL727064 0.84 TSHR (0.59) USP5KMT2ANR4A2KMOPKM
SCHEMBL3148795 0.84 NR4A2 (0.53) USP5KMT2ANR4A2PKMTSHR
SCHEMBL11637468 0.81 USP5 (0.50) USP5KMT2ANR4A2PKMTSHR
SCHEMBL10744419 0.80 KDM4E (0.51) KMT2AKDM4EKMOTSHRLMNA
SCHEMBL11536711 0.79 KMT2A (0.58) USP5KMT2ANR4A2PKMTSHR
SCHEMBL11352711 0.79 MAPT (0.59) USP5KMT2ANR4A2PKMTSHR
SCHEMBL11089924 0.79 USP5 (0.49) USP5KMT2ANR4A2PKMTSHR
SCHEMBL5313540 0.79 USP5 (0.49) USP5KMT2ANR4A2PKMTSHR
SCHEMBL11636679 0.79 KMT2A (0.49) USP5KMT2ANR4A2KDM4EPKM

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
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed
US-4929643-A Benzenesulfonamide derivatives and a process for the preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
US-4849444-A Benzenesulfonamide derivatives and a process for the medical use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4082843-A 3-(3-(3-Substituted amino-2-hydroxypropoxy)phenyl)-6-hydrazino pyridazines and their use as vasodilators and β-adrenergic blocking agents SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-04-04 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 (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-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 USP5 2143/4885KMT2A 4133/4885NR4A2 1593/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 USP5 2212/4885KMT2A 3055/4885NR4A2 1508/4885

“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.