SCHEMBL1887127

SCHEMBL1887127

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 5/20 0.66
▸ TEAD4 Q15561 5/20 0.66
▸ MAPT P10636 5/20 0.66
▸ LMNA P02545 2/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ PRNP P04156 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51

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
SCHEMBL1879167 0.91 MAPT (0.66) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL13579146 0.91 MAPT (0.66) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1567522 0.91 MAPT (0.69) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1888843 0.90 SMN1; SMN2 (0.68) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1887723 0.89 MAPT (0.54) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1888399 0.88 MAPT (0.62) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1882201 0.88 SMN1; SMN2 (0.56) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL21966273 0.87 GPX4 (0.67) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL1883383 0.86 MAPT (0.53) YAP1TEAD4MAPTLMNANPSR1
SCHEMBL12639504 0.86 MAPT (0.60) YAP1TEAD4MAPTLMNANPSR1

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 8 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
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 — — US disclosed
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
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 — — US disclosed
WO-2009150248-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS CYTOMICS SYSTEMS (FR) 2009-12-17 — — 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 YAP1 488/4885TEAD4 896/4885MAPT 2578/4885

“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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