SCHEMBL16799139

SCHEMBL16799139

CCS(=O)(=O)c1ccc(CC(N)=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.47
▸ CA2 P00918 5/20 0.43
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RORC P51449 3/20 0.39
▸ CYP26A1 O43174 1/20 0.39
▸ CYP26B1 Q9NR63 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ CA1 P00915 3/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CCL2 P13500 1/20 0.36

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
SCHEMBL14744272 0.86 CYP26A1 (0.47) KIF11CA2PTGDR2ALDH1A1RORC
SCHEMBL30116472 0.86 CYP26A1 (0.47) KIF11CA2PTGDR2ALDH1A1RORC
SCHEMBL16879775 0.85 CA2 (0.51) CA2EPHX2NR1H4CYP26A1CYP26B1
SCHEMBL16879788 0.84 EPHX2 (0.41) KIF11CA2EPHX2NR1H4ALDH1A1
SCHEMBL16880028 0.83 LOX (0.39) KIF11CA2EPHX2NR1H4ALDH1A1
SCHEMBL23488069 0.82 KIF11 (0.42) KIF11CA2PTGDR2EPHX2NR1H4
SCHEMBL16880042 0.82 CA2 (0.41) KIF11CA2PTGDR2EPHX2NR1H4
SCHEMBL14744197 0.81 GAA (0.47) PTGDR2GAA
SCHEMBL28512005 0.80 CA2 (0.47) KIF11CA2PTGDR2EPHX2NR1H4
SCHEMBL19360365 0.80 PSIP1 (0.52) KIF11CA2PTGDR2EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 — — WO claimed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 — — WO claimed
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2022-04-28 — — US disclosed
US-11229636-B2 Substituted tetrahydroquinolinone compounds as ROR gamma modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-01-25 — — US disclosed
EP-3845526-A1 METHOD FOR THE PREPARATION OF TETRAHYDROQUINOLINONE COMPOUNDS HAVING ROR-GAMMA MODULATING ACTIVITY Aurigene Discovery Technologies Limited (IN) 2021-07-07 — — EP disclosed
US-20210113551-A9 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-04-22 — — US disclosed
EP-3294713-B1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2021-02-17 — — EP disclosed
US-20180200247-A1 Substituted Tetrahydroquinolinone Compounds as ROR Gamma Modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 — — US disclosed
US-20180200247-A1 Substituted Tetrahydroquinolinone Compounds as ROR Gamma Modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 — — US disclosed
WO-2016185342-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-24 — — WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 — — WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 — — WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 — — WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 — — 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 (4 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-11229636-B2 Substituted tetrahydroquinolinone compounds as ROR gamma modulators RORC, RORA, RORB KIF11 1864/4885CA2 4024/4885PTGDR2 401/4885
US-20180200247-A1 Substituted Tetrahydroquinolinone Compounds as ROR Gamma Modulators RORC, RORA, RORB KIF11 1864/4885CA2 4024/4885PTGDR2 401/4885
US-20210113551-A9 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS RORC, RORA, RORB KIF11 1864/4885CA2 4024/4885PTGDR2 401/4885
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS RORC, RORA, RORB KIF11 1864/4885CA2 4024/4885PTGDR2 401/4885

“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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