SCHEMBL16888554

SCHEMBL16888554

CC(=O)N1CCC(O)(C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 3/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 2/20 0.38
MAPK1 P28482 1/20 0.38
PDK2 Q15119 1/20 0.38
VNN1 O95497 1/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 3/20 0.37

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
SCHEMBL18711632 0.93 CYP3A4 (0.39) CYP1A2TDP1USP2CYP2C19SMN1; SMN2
SCHEMBL18069128 0.88 SMN1; SMN2 (0.42) CYP1A2TDP1USP2CYP2C19SMN1; SMN2
SCHEMBL27896663 0.83 RORC (0.41) TDP1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL3869090 0.81 VNN1 (0.38) TDP1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL23077821 0.81 CYP1A2 (0.43) CYP1A2TDP1USP2CYP2C19SMN1; SMN2
SCHEMBL14970391 0.80 SMN1; SMN2 (0.50) CYP1A2TDP1USP2CYP2C19SMN1; SMN2
SCHEMBL18702091 0.80 CYP3A4 (0.40) MEN1KMT2AALDH1A1EPHX2PDK2
SCHEMBL15450784 0.79 SMN1; SMN2 (0.45) CYP1A2TDP1USP2CYP2C19SMN1; SMN2
SCHEMBL16876660 0.79 VNN1 (0.37) TDP1SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL20348530 0.79 PDK2 (0.41) MEN1KMT2AALDH1A1EPHX2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
US-9637455-B2 Heterocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20160326115-A1 HETEROCYCLIC SULFONE 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
WO-2015103510-A1 HETEROCYCLIC SULFONE AS ROR-GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO 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 (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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYP1A2 387/4885TDP1 953/4885USP2 330/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CYP1A2 456/4885TDP1 1662/4885USP2 3169/4885
US-20160326115-A1 HETEROCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA CYP1A2 165/4885TDP1 3165/4885USP2 3080/4885
US-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA CYP1A2 398/4885TDP1 2490/4885USP2 3493/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA CYP1A2 430/4885TDP1 2482/4885USP2 3646/4885

“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.