SCHEMBL4621173

SCHEMBL4621173

Cc1c(F)c(F)cc(NC(=O)OC(C)(C)C)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRAF P15056 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
LCK P06239 1/20 0.34
SYK P43405 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL25863098 0.88 CYP17A1 (0.42) CYP17A1CA12CA1CA9RXFP1
SCHEMBL6124200 0.87 CYP17A1 (0.43) CYP17A1CA12CA1CA9RXFP1
SCHEMBL25829859 0.83 CYP17A1 (0.41) CYP17A1CA12CA1CA9RXFP1
SCHEMBL29021616 0.83 CYP17A1 (0.41) CYP17A1CA12CA1CA9RXFP1
SCHEMBL29932328 0.83 CYP17A1 (0.41) CYP17A1CA12CA1CA9RXFP1
SCHEMBL25829281 0.83 CYP17A1 (0.43) CYP17A1CA12CA1CA9RXFP1
SCHEMBL29561754 0.82 CYP17A1 (0.40) CYP17A1CA12CA1CA9RXFP1
SCHEMBL30739735 0.81 CYP17A1 (0.44) CYP17A1CA12CA1CA9RXFP1
SCHEMBL14725520 0.80 CYP17A1 (0.48) CYP17A1CA12CA1CA9RXFP1
SCHEMBL25829310 0.80 CYP17A1 (0.41) CYP17A1CA12CA1CA9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 CYP17A1 2739/4885CA12 2338/4885CA1 2449/4885

“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.