SCHEMBL18214970

SCHEMBL18214970

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ QDPR P09417 1/20 0.42
▸ RIPK1 Q13546 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL191353 0.82 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL8947886 0.82 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL4509387 0.82 LMNA (0.37) KDM4ESMN1; SMN2LMNAHSD17B10
Hydrochloric Acid SCHEMBL1835887 0.80 LMNA (0.53) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL190928 0.79 CYP1A2 (0.48) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL5707633 0.78 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL18519658 0.78 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL18711893 0.77 CYP1A2 (0.46) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL12036175 0.77 CYP1A2 (0.46) EPHX2EPHX1CYP1A2TDP1QDPR
SCHEMBL13621147 0.77 ALDH1A1 (0.47) CYP1A2TDP1RIPK1KDM4ELMNA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 EPHX2 2486/4885EPHX1 2195/4885CYP1A2 398/4885

“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.

Send feedback