SCHEMBL9385388

SCHEMBL9385388

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 4/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
EPHX2 P34913 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX12 P18054 1/20 0.38
PIK3CD O00329 1/20 0.38
HIF1A Q16665 1/20 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
SCHEMBL28955954 0.84 USP2 (0.44) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL12136865 0.82 CYP1A2 (0.43) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL10093511 0.80 CYP1A2 (0.50) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL16886289 0.79 MEN1 (0.40) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL16887592 0.79 CYP1A2 (0.40) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL5518371 0.78 CYP1A2 (0.48) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL26783934 0.77 USP2 (0.60) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL23520719 0.76 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL13804020 0.76 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL5518367 0.76 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EUSP2

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 6 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
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP 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 (2 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-20160326108-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS RORC, RORB, RORA CYP1A2 398/4885TDP1 2490/4885SMN1; SMN2 1758/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA CYP1A2 430/4885TDP1 2482/4885SMN1; SMN2 1871/4885

“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.