SCHEMBL20870141

SCHEMBL20870141

CCc1ccc(N)c(C#CC(C)(C)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTPN11 Q06124 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ TTBK1 Q5TCY1 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL22279894 0.77 TRPA1 (0.33) TRPA1NOS3NOS1NOS2TSHR
SCHEMBL17672911 0.74 ALK (0.42) PGK1PTGESPTPN11TTBK1KDM4E
SCHEMBL22061291 0.73 TRPA1 (0.34) TRPA1NOS3NOS1NOS2KDM4E
SCHEMBL22061266 0.73 TRPA1 (0.34) TRPA1NOS3NOS1NOS2KDM4E
SCHEMBL30662267 0.73 TRPA1 (0.34) TRPA1NOS3NOS1NOS2KDM4E
SCHEMBL20870191 0.73 FFAR4 (0.32) TRPA1
SCHEMBL13849645 0.72 CYP2A6 (0.47) PTGESGAAMAPTALDH1A1TSHR
SCHEMBL11401297 0.72 CYP3A4 (0.48) PGK1TTBK1KDM4EMAPTALDH1A1
SCHEMBL29789973 0.72 CYP3A4 (0.48) PGK1TTBK1KDM4EMAPTALDH1A1
SCHEMBL13226789 0.72 CYP2A6 (0.47) TRPA1NOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 — — EP disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 — — US disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 — — 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 (1 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB PGK1 3863/4885PTGES 2482/4885TRPA1 574/4885

“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.

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