SCHEMBL4594713

SCHEMBL4594713

Cc1onc(-c2cccc(F)c2)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.62
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.50
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 1/20 0.49
GABRA5 P31644 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL27918170 0.90 GPBAR1 (0.63) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2471876 0.89 GPBAR1 (0.62) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL4333884 0.85 GPBAR1 (0.60) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL4332194 0.85 KMT2A (0.49) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL13734171 0.85 GPBAR1 (0.58) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2472816 0.84 GPBAR1 (0.57) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL316093 0.83 KMT2A (0.76) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL13733599 0.83 LMNA (0.49) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL1931107 0.83 GPBAR1 (0.66) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL1776068 0.83 GPBAR1 (0.59) GPBAR1GAATSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259620-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE Cancer Research Technology Limited (GB) 2023-10-18 EP disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
EP-2699566-B1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM CO LTD (KR) 2017-02-22 EP disclosed
CN-103313982-B Phenyl-isoxazole derivatives and process for the preparation thereof IL-YANG PHARM. CO.,LTD. (KR) 2016-02-03 CN disclosed
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 US disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2767536-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2014-08-20 EP disclosed
EP-2699566-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF Il-Yang Pharm. Co., Ltd. (KR) 2014-02-26 EP disclosed
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2014-01-30 US disclosed
EP-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 US disclosed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
EP-1226131-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-31 EP disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 US disclosed
WO-2001029015-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES AS ALPHA1-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2001-04-26 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 (3 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-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 GPBAR1 703/4885GAA 3666/4885TSHR 2444/4885
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS GPBAR1 4105/4885GAA 477/4885TSHR 3611/4885
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives GABRA5, GABRA4, CHRNA5 GPBAR1 244/4885GAA 1212/4885TSHR 616/4885

“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.