SCHEMBL166813

SCHEMBL166813

CCS(=O)(=O)c1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.53
PTGS1 P23219 10/20 0.53
AKR1C3 P42330 5/20 0.53
AKR1C2 P52895 4/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
ALOX5 P09917 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL16879899 0.84 EPHX1 (0.54) AKR1C3AKR1C2LMNAPSIP1GAA
SCHEMBL16799901 0.82 PTGS1 (0.50) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL13723847 0.81 AKR1C3 (0.70) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL168255 0.81 HPGD (0.44) PTGS2PTGS1PSIP1GAAMT-CO2
SCHEMBL12465947 0.81 KMT2A (0.47) PTGS2LMNAPSIP1GAA
SCHEMBL168108 0.80 PSIP1 (0.48) PTGS1AKR1C3AKR1C2PSIP1GAA
SCHEMBL28234635 0.80 RORC (0.50) CYP2C9PSIP1GAA
SCHEMBL29280844 0.80 RORC (0.50) CYP2C9PSIP1GAA
SCHEMBL59197 0.79 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL1758657 0.79 AKR1C3 (0.54) PTGS2PTGS1AKR1C3AKR1C2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402867-A1 SULFO-SUBSTITUTED BIARYL COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI LITEDD CO., LTD. (CN) 2022-12-22 US disclosed
EP-4039674-A1 SULFO-SUBSTITUTED BIARYL COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Litedd Co., Ltd. (CN) 2022-08-10 EP disclosed
CN-114502532-A Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-05-13 CN disclosed
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 EP disclosed
CN-105980353-A ROR gamma modulators 领先制药CEL模型知识产权公司 2016-09-28 CN disclosed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
WO-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 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 (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-20220402867-A1 SULFO-SUBSTITUTED BIARYL COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RORB, RORA, RORC PTGS2 4301/4885PTGS1 3599/4885AKR1C3 321/4885
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB PTGS2 4258/4885PTGS1 3026/4885AKR1C3 826/4885

“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.