Sugi Predict

Sugi Predict / Compounds / SCHEMBL11895683

SCHEMBL11895683

SCHEMBL11895683

O[C@@]12COCC[C@@H]1CCC[C@@H]2Nc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.67
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TRPC5 Q9UL62 1/20 0.47
▸ BACE1 P56817 2/20 0.38
▸ POLB P06746 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL10825 1.00 TRPA1 (0.67) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11954731 1.00 TRPA1 (0.67) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11967538 1.00 TRPA1 (0.67) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11895630 1.00 TRPA1 (0.67) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11894969 0.86 TRPA1 (0.50) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL12253 0.86 TRPA1 (0.50) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11954730 0.86 TRPA1 (0.50) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11971197 0.86 TRPA1 (0.50) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL11967093 0.86 TRPA1 (0.50) TRPA1ESR1PGRHTR2ASLC6A3
SCHEMBL3256 0.81 TRPA1 (1.00) TRPA1ESR1PGRHTR2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP claimed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US claimed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-8829196-B2 TRPA1 antagonists MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP disclosed
EP-2485737-B1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — US disclosed
US-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 — — 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 (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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885ESR1 3872/4885PGR 4490/4885

“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.