SCHEMBL3784446

SCHEMBL3784446

Cc1ccc2ccc(=O)[nH]c2c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
HCAR1 Q9BXC0 5/20 0.39
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EIF4A3 P38919 1/20 0.36
KDM4E B2RXH2 2/20 0.33
AR P10275 1/20 0.33
F11 P03951 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL705402 0.81 CA12 (0.62) CA12CA9HCAR1CA1CA3
SCHEMBL12569582 0.81 CA12 (0.47) CA12CA9HCAR1CA1CA3
SCHEMBL25003020 0.78 CA12 (0.53) CA12CA9CA1CA3CA4
SCHEMBL29153237 0.78 CA12 (0.53) CA12CA9HCAR1CA1CA3
SCHEMBL2819163 0.78 CA12 (0.58) CA12CA9HCAR1CA1CA3
SCHEMBL30839765 0.78 CA12 (0.53) CA12CA9CA1CA3CA4
SCHEMBL6370054 0.77 CA12 (0.49) CA12CA9HCAR1CA1CA3
SCHEMBL433883 0.75 CA12 (0.60) CA12CA9HCAR1CA1CA3
SCHEMBL30063823 0.75 CA12 (0.60) CA12CA9HCAR1CA1CA3
SCHEMBL30908307 0.75 CYP19A1 (0.46) CA12CA9HCAR1CA1CA3

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 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 (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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CA12 3560/4885CA9 2854/4885HCAR1 20/4885

“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.