SCHEMBL21432045

SCHEMBL21432045

CC(C)C(=O)[C@@H]1CCC(=O)N1CCC#N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
ACE P12821 2/20 0.36
RORC P51449 7/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C8 P10632 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7826338 0.82 ACE (0.39) P2RX7ACERORCCYP3A4CYP2C8
SCHEMBL10754807 0.82 ACE (0.39) P2RX7ACERORCCYP3A4CYP2C8
SCHEMBL20077497 0.81 RORC (0.35) P2RX7RORCCYP3A4CYP2C8ALDH1A1
SCHEMBL23253587 0.74 P2RX7 (0.38) P2RX7ACE
SCHEMBL23230349 0.73 P2RX7 (0.42) P2RX7ACE
SCHEMBL10689723 0.70 PTGER4 (0.32) RORC
SCHEMBL10632319 0.70 P2RX7 (0.41) P2RX7ACEALDH1A1
SCHEMBL10632316 0.70 P2RX7 (0.41) P2RX7ACEALDH1A1
SCHEMBL10689728 0.70 PTGER4 (0.32) RORC
SCHEMBL6706546 0.66 ACE (0.41) P2RX7ACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-02 US disclosed
US-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-10-03 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-20190300523-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS RORC, RORB, RORA P2RX7 814/4885ACE 3546/4885RORC 1/4885
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators RORC, RORB, RORA P2RX7 814/4885ACE 3546/4885RORC 1/4885

“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.