SCHEMBL3179651

SCHEMBL3179651

O=C(N(CCCc1ccc(-c2ccccc2F)s1)c1ccncc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.35
▸ GPBAR1 Q8TDU6 11/20 0.34
▸ ESRRG P62508 2/20 0.33
▸ RPS6KB2 Q9UBS0 1/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ STK17B O94768 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3179646 0.72 LMNA (0.49) ESRRGTRPV1
SCHEMBL8446243 0.70 LMNA (0.52) ESRRGTRPV1
SCHEMBL3173556 0.68 RPS6KB2 (0.53) ACKR3ESRRGRPS6KB2STK17B
SCHEMBL5771067 0.65 HDAC8 (0.35) MAPK14
SCHEMBL3164302 0.64 RPS6KB2 (0.58) ACKR3ESRRGRPS6KB2
Trifluoroacetic Acid SCHEMBL3179313 0.62 ME2 (0.44) —
SCHEMBL31211569 0.61 NPC1 (0.60) MLYCDTP53
SCHEMBL13282145 0.61 MEN1 (0.43) ACKR3ESRRG
SCHEMBL3182183 0.61 HPGD (0.60) TP53
SCHEMBL20764033 0.61 ESRRG (0.74) ESRRGTP53

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 — — EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 — — EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 ACKR3 2552/4885GPBAR1 353/4885ESRRG 402/4885

“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.

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