SCHEMBL16892264

SCHEMBL16892264

COCc1cc(F)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PKM P14618 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ IDO1 P14902 2/20 0.47
▸ SLC6A2 P23975 9/20 0.46
▸ SLC6A4 P31645 9/20 0.46
▸ SLC6A3 Q01959 9/20 0.46
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43

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
SCHEMBL31280496 0.86 HDAC3 (0.43) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL4625651 0.83 SLC6A4 (0.49) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL18213806 0.81 ALDH1A1 (0.48) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL12016019 0.81 IDO1 (0.44) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL321697 0.81 KDM4E (0.53) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL30785121 0.81 KDM4E (0.53) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL17525882 0.81 SLC6A4 (0.66) PKMSLC6A2SLC6A4SLC6A3
SCHEMBL25446785 0.79 IDO1 (0.47) ALDH1A1GAAIDO1SMN1; SMN2KDM4E
SCHEMBL12016015 0.79 IDO1 (0.72) ALDH1A1MEN1KMT2AIDO1
SCHEMBL1714408 0.79 SLC6A2 (0.46) ALDH1A1MEN1POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 — — US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (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

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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA ALDH1A1 1062/4885MEN1 4372/4885POLB 3151/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA ALDH1A1 1327/4885MEN1 4281/4885POLB 2057/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 1269/4885MEN1 4279/4885POLB 2312/4885

“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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