SCHEMBL9316038

SCHEMBL9316038

CC(C)CN(S)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CD O00329 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
SCHEMBL22854896 0.76 LMNA (0.38) PIK3CD
SCHEMBL23374585 0.74
SCHEMBL22702711 0.74 PLA2G1B (0.30)
SCHEMBL15039780 0.74
Pentachlorobenzene SCHEMBL11361579 0.74 CYP3A4 (0.46) MAPK1
SCHEMBL19861549 0.73
SCHEMBL5139662 0.72
SCHEMBL11394693 0.69 CA12 (0.35) CA12CA1CA2CA9CYP1A2
SCHEMBL21141114 0.67
SCHEMBL65000 0.67 CYP1A2 (0.53) CA12CA1CA2CA9CYP1A2

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
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-0614457-A1 LEUKOTRIENE-B 4? DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS. SCHERING AG (DE) 1994-09-14 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 (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-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 CA12 711/4885CA1 810/4885CA2 2209/4885

“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.