SCHEMBL3164302

SCHEMBL3164302

COC(=O)CCc1ccc(-c2ccccc2F)s1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB2 Q9UBS0 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ESRRG P62508 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ACACA Q13085 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SELP P16109 2/20 0.38
▸ SELE P16581 2/20 0.38
▸ SELL P14151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL3173556 0.83 RPS6KB2 (0.53) RPS6KB2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14340893 0.80 RPS6KB2 (0.64) RPS6KB2NPC1RAB9AHPGDACACA
SCHEMBL3164350 0.78 KMT2A (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1LMNA
SCHEMBL8446243 0.75 LMNA (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1ESRRG
SCHEMBL3171849 0.75 ME2 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL3164138 0.74 NPC1 (0.48) NPC1RAB9AHPGDKDM4E
SCHEMBL3182183 0.74 HPGD (0.60) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL7690394 0.74 RPS6KB2 (1.00) RPS6KB2SMN1; SMN2HPGDACACAKDM4E
Trifluoroacetic Acid SCHEMBL3179313 0.73 ME2 (0.44) SMN1; SMN2L3MBTL1LMNA
SCHEMBL13282145 0.73 MEN1 (0.43) SMN1; SMN2NPC1RAB9AESRRGACKR3

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 RPS6KB2 1383/4885SMN1; SMN2 4713/4885NPC1 2911/4885

“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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