SCHEMBL1876718

SCHEMBL1876718

COc1ccc(N(C(=O)C(F)(F)F)C(C(=O)NC2CCCCC2)c2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ MAPT P10636 4/20 0.62
▸ LMNA P02545 1/20 0.62
▸ POLB P06746 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ YAP1 P46937 1/20 0.52
▸ TEAD4 Q15561 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1567522 0.87 MAPT (0.69) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL12639504 0.86 MAPT (0.60) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1879167 0.85 MAPT (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1887127 0.85 YAP1 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13579146 0.85 MAPT (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1888032 0.81 CYP1A2 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL12672320 0.77 TDP1 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL12639363 0.77 SMN1; SMN2 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL15189099 0.77 SMN1; SMN2 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL1897025 0.77 NPSR1 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
EP-2307017-B1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS PITTY MARC HENRY (FR) 2013-08-14 — — EP disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 CYP3A4 133/4885CYP2C9 147/4885CYP2C19 85/4885

“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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