SCHEMBL20487513

SCHEMBL20487513

CC1(C)Cc2cc(Br)sc2C2(CCN(C(=O)O)CC2)O1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20486729 0.84 GPR119 (0.37) RORARORCALDH1A1
SCHEMBL20487669 0.78 OPRL1 (0.39) DRD2SIGMAR1
SCHEMBL21681645 0.77 RORC (0.36) RORARORC
SCHEMBL20488257 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20487061 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1807600 0.71 OPRL1 (0.38) ALDH1A1
SCHEMBL1804178 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1809181 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21710567 0.64 GPR119 (0.37) RORARORC
SCHEMBL20488362 0.63 USP2 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589637-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-14 EP disclosed
US-10603320-B2 Compounds useful for inhibiting ROR-gamma-t ELI LILLY AND COMPANY (US) 2020-03-31 US disclosed
WO-2018160547-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 WO 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-10603320-B2 Compounds useful for inhibiting ROR-gamma-t RORC, RORB, RORA RORA 3/4885RORC 1/4885DRD2 4135/4885

“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.