SCHEMBL4404635

SCHEMBL4404635

CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(CBr)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
PREP P48147 2/20 0.33
IDO1 P14902 1/20 0.32
DRD2 P14416 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
SCHEMBL14274449 0.89 CA12 (0.39) CA12CA1CA9PREPDRD2
SCHEMBL6027683 0.89 CA12 (0.39) CA12CA1CA9PREPDRD2
SCHEMBL17974012 0.86 CA12 (0.36) CA12CA1CA9PREPIDO1
SCHEMBL1417464 0.85 CA12 (0.35) CA12CA1CA9PREPIDO1
SCHEMBL23723314 0.83 CA12 (0.42) CA12CA1CA9PREP
SCHEMBL1416957 0.83 CA12 (0.42) CA12CA1CA9PREPIDO1
SCHEMBL5855438 0.80 PTGS2 (0.44) CA1CA9
SCHEMBL16410318 0.78 IDO1 (0.39) IDO1
SCHEMBL4406786 0.77 CA12 (0.38) CA12CA1CA9PREP
SCHEMBL378877 0.76 CA12 (0.42) CA12CA1CA9PREPIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
EP-3044210-A2 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2016-07-20 EP disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (3 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 CA12 1714/4885CA1 1776/4885CA9 828/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 CA12 1714/4885CA1 1776/4885CA9 828/4885
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP21A2 CA12 2578/4885CA1 2260/4885CA9 1626/4885

“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.