SCHEMBL457706

SCHEMBL457706

Cc1onc(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.59
KMT2A Q03164 5/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GABRA5 P31644 1/20 0.51
PTGS2 P35354 2/20 0.50
BACE1 P56817 1/20 0.49
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Hydrochloric Acid SCHEMBL3981907 0.98 GPBAR1 (0.57) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL27913634 0.89 GPBAR1 (0.60) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL2475844 0.87 GPBAR1 (0.59) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL3862966 0.87 KMT2A (0.59) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL4718673 0.86 KMT2A (0.72) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL3068021 0.86 GPBAR1 (0.61) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL7769050 0.85 KMT2A (0.58) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL12310938 0.85 KMT2A (0.58) GPBAR1KMT2AGAAMEN1TSHR
SCHEMBL316093 0.85 KMT2A (0.76) GPBAR1KMT2AGAAMEN1TSHR
Hydrochloric Acid SCHEMBL30684627 0.84 KMT2A (0.70) GPBAR1KMT2AGAAMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
CN-103889978-B PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS 霍夫曼-拉罗奇有限公司 2017-02-15 CN disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2768821-B1 SOLID FORMS OF (1,1-DIOXO-4-THIOMORPHOLINYL)-[6-[[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-8975397-B2 Solid forms HOFFMANN-LA ROCHE INC. (US) 2015-03-10 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
WO-2014181287-A1 HETEROCYCLYL COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2014-11-13 WO disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed
US-7060710-B2 Isoxazole pyrazoloindane derivatives as cognition enhancing GABAA α5 subtype ligands MERCK SHARP & DOHME LTD. (GB) 2006-06-13 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
US-20040006226-A1 Isoxazole pyrazoloindane derivatives as cognition enhancing GABA-A alpha 5 subtype ligands MERCK SHARP & DOHME LTD. (GB) 2004-01-08 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 GPBAR1 2708/4885KMT2A 3283/4885GAA 1965/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 GPBAR1 703/4885KMT2A 1198/4885GAA 3666/4885
US-20040006226-A1 Isoxazole pyrazoloindane derivatives as cognition enhancing GABA-A alpha 5 subtype ligands GABRA5, GABRB1, GABRA4 GPBAR1 354/4885KMT2A 3319/4885GAA 2662/4885

“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.