SCHEMBL3826089

SCHEMBL3826089

Cc1onc(-c2ccccc2F)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.60
EPAS1 Q99814 1/20 0.56
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL30395326 1.00 GPBAR1 (0.60) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL27936741 0.89 GPBAR1 (0.62) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL6695996 0.88 GPBAR1 (0.49) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL12544125 0.88 GPBAR1 (0.49) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL2470614 0.88 GPBAR1 (0.60) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL3822684 0.87 HSD17B10 (0.70) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL12457425 0.84 GPBAR1 (0.59) GPBAR1HSD17B10MEN1KMT2ALMNA
SCHEMBL5774873 0.84 LMNA (0.54) GPBAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL5773636 0.84 GPBAR1 (0.57) GPBAR1EPAS1HSD17B10MEN1KMT2A
SCHEMBL11408570 0.84 EPAS1 (0.61) GPBAR1EPAS1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN 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
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN 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
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
CN-1379767-A Isoxazole carboxamide derivatives RECORDATI CHEM PHARM (CH) 2002-11-13 CN 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
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 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
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 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 703/4885EPAS1 1684/4885HSD17B10 2181/4885
US-20040006226-A1 Isoxazole pyrazoloindane derivatives as cognition enhancing GABA-A alpha 5 subtype ligands GABRA5, GABRB1, GABRA4 GPBAR1 354/4885EPAS1 1874/4885HSD17B10 1916/4885
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS GPBAR1 4105/4885EPAS1 926/4885HSD17B10 3731/4885

“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.