SCHEMBL17132575

SCHEMBL17132575

CC(C)CCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.49
NR1I2 O75469 1/20 0.44
RORA P35398 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
RORB Q92753 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ENPP2 Q13822 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL25080974 0.89 RORC (0.47) RORCNR1I2RORANR1H2NR1H3
SCHEMBL104853 0.82 CA2 (0.63) CA2
SCHEMBL13294861 0.82 LMNA (0.43) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10604080 0.82 NR1I2 (0.41) NR1I2CA2ALDH1A1CYP1A2CYP2C9
SCHEMBL23665876 0.82 F2 (0.58) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10606942 0.82 ALDH1A1 (0.40) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10604085 0.81 ALDH1A1 (0.42) CA2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9492256 0.81 CA2 (0.61) CA2
SCHEMBL8080450 0.80 HTT (0.41)
SCHEMBL15294687 0.79 ALDH1A1 (0.53) RORCCA2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US 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 (5 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-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 RORC 823/4885NR1I2 787/4885RORA 730/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 RORC 1256/4885NR1I2 922/4885RORA 789/4885
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 RORC 771/4885NR1I2 830/4885RORA 889/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 RORC 815/4885NR1I2 984/4885RORA 756/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 RORC 815/4885NR1I2 984/4885RORA 756/4885

“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.