SCHEMBL16892255

SCHEMBL16892255

CC(=O)[C@H]1CCNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDM1A O60341 1/20 0.34
ALDH2 P05091 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
PMP22 Q01453 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL16892260 1.00 KMT2A (0.36) KMT2AKDM1AALDH2GABRPGABRD
SCHEMBL14335540 1.00 KMT2A (0.36) KMT2AKDM1AALDH2GABRPGABRD
SCHEMBL1198241 0.88 KMT2A (0.41) KMT2AKDM1ATSHROR51E2CYP2D6
SCHEMBL2153717 0.81 GABRP (0.48) KMT2AGABRPGABRDGABRA1TSHR
SCHEMBL21198163 0.79 KMT2A (0.41) KMT2AALDH2GABRPGABRDGABRA1
SCHEMBL27410402 0.79 KMT2A (0.41) KMT2AALDH2GABRPGABRDGABRA1
SCHEMBL23847785 0.79 KMT2A (0.33) KMT2AALDH2
SCHEMBL16380493 0.79 KMT2A (0.33) KMT2AALDH2
SCHEMBL21107374 0.79 GLI1 (0.37) KMT2AALDH2PIM1CYP2D6
SCHEMBL19322915 0.79 CCR2 (0.35) KMT2AALDH2

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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP 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-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 (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 KMT2A 3798/4885KDM1A 2599/4885ALDH2 1883/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA KMT2A 3540/4885KDM1A 2735/4885ALDH2 1835/4885

“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.