Sugi Predict

Sugi Predict / Compounds / SCHEMBL19203473

SCHEMBL19203473

SCHEMBL19203473

Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(C)N2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 11/20 0.49
▸ BRD4 O60885 9/20 0.49
▸ EP300 Q09472 1/20 0.49
▸ AR P10275 2/20 0.46
▸ PGR P06401 1/20 0.44
▸ CYP3A4 P08684 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ GRM3 Q14832 1/20 0.40

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
SCHEMBL17347915 0.75 MEN1 (0.41) CYP3A4GRM2GRM3
SCHEMBL17336644 0.75 ALDH1A1 (0.41) CYP3A4GRM2GRM3
SCHEMBL17348505 0.75 ALDH1A1 (0.41) CYP3A4GRM2GRM3
SCHEMBL17336766 0.75 MEN1 (0.41) CYP3A4GRM2GRM3
SCHEMBL19203383 0.74 CYP3A4 (0.41) ARCYP3A4GRM2GRM3
SCHEMBL19182348 0.73 CYP3A4 (0.56) CYP3A4GRM2GRM3
SCHEMBL17348375 0.73 CYP3A4 (0.56) CYP3A4GRM2GRM3
SCHEMBL17348296 0.72 CYP3A4 (0.36) CYP3A4GRM2GRM3
SCHEMBL19181168 0.72 CYP3A4 (0.36) CREBBPBRD4CYP3A4GRM2GRM3
SCHEMBL17348212 0.72 CYP3A4 (0.36) CREBBPBRD4CYP3A4GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 — — US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 — — US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 — — US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 — — US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 — — 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 (4 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 CREBBP 447/4885BRD4 595/4885EP300 317/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 CREBBP 447/4885BRD4 595/4885EP300 317/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 CREBBP 447/4885BRD4 595/4885EP300 317/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 CREBBP 447/4885BRD4 595/4885EP300 317/4885

“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.