SCHEMBL25884614

SCHEMBL25884614

CC(C)Nc1cnc(C(=O)N(C)C(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 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
SCHEMBL23324957 0.82 ACACB (0.34) HCAR3HSD17B1HSD17B2ACACB
SCHEMBL12667404 0.77 HCAR3 (0.37) HCAR3ALOX15TSHRCASP1
SCHEMBL24127269 0.68 CYP1A2 (0.37) HSD17B1HSD17B2ALOX15ALDH1A1MAPT
SCHEMBL23323560 0.68 P4HTM (0.38) HCAR3ALDH1A1MAPT
SCHEMBL25884637 0.68 HCAR3 (0.65) HCAR3
SCHEMBL23324958 0.67 HCAR3 (0.32) HCAR3
SCHEMBL23325915 0.67 HCAR3 (0.32) HCAR3
SCHEMBL25571558 0.66 LRRK2 (0.37) HCAR3
SCHEMBL17206690 0.66 — —
SCHEMBL25905782 0.64 RXFP1 (0.45) HCAR3ALOX15TSHRALDH1A1

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — 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-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS HCAR3 4500/4885HSD17B1 4644/4885HSD17B2 4726/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR HCAR3 4223/4885HSD17B1 4201/4885HSD17B2 4253/4885

“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.

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