SCHEMBL4943673

SCHEMBL4943673

Cc1cc(COS(C)(=O)=O)nc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30931695 0.79 HPGD (0.43) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL9722863 0.77 TACR1 (0.33) CYP1A2CYP3A4CYP2D6
SCHEMBL16398101 0.77 GLP1R (0.34) ALDH1A1HTTNPC1
SCHEMBL8987508 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL16398719 0.76 GLP1R (0.32) ALDH1A1
SCHEMBL27917779 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL19534275 0.75 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10204303 0.73 SMN1; SMN2 (0.34) ALDH1A1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL31227383 0.73 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6
SCHEMBL4208213 0.73 PIK3CA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 MEN1 2729/4885KMT2A 519/4885ALDH1A1 611/4885

“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.