SCHEMBL13876014

SCHEMBL13876014

Cn1ccc(C(=O)C(C)(C)C)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
ALOX5 P09917 1/20 0.38
PRMT5 O14744 1/20 0.37
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL1256450 0.79 CREBBP (0.42) SLC18A3PRMT5KDM4EALDH1A1TSHR
SCHEMBL13701771 0.77 MAPT (0.48) PRMT5MAPK8ALDH1A1TSHRLMNA
SCHEMBL13876015 0.77 ACACB (0.37) ALOX5HDAC6TUBB4ATUBBTUBA3C
SCHEMBL25552371 0.77
SCHEMBL2304354 0.77 BRD4 (0.49) SLC18A3PRMT5ARKDM4EALDH1A1
SCHEMBL25552271 0.76 ALOX5 (0.35) ALOX5PGRARHDAC6
SCHEMBL13890783 0.74 KDM4E (0.47) SLC18A3PRMT5HDAC6PIK3C3TUBB4A
SCHEMBL2899557 0.74 CASP3 (0.47) KDM4EALDH1A1TSHRL3MBTL1LMNA
SCHEMBL13876020 0.74 EPHX2 (0.40) LMNA
SCHEMBL24493030 0.73 SLC18A3 (0.37) SLC18A3PRMT5HDAC6PIK3C3TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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 (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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 SLC18A3 2967/4885ALOX5 94/4885PRMT5 2256/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA SLC18A3 4791/4885ALOX5 1838/4885PRMT5 1849/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA SLC18A3 4597/4885ALOX5 1568/4885PRMT5 1973/4885

“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.