SCHEMBL13532201

SCHEMBL13532201

CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
HTT P42858 3/20 0.78
HSD17B10 Q99714 2/20 0.78
CASP1 P29466 1/20 0.78
TP53 P04637 2/20 0.74
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 7/20 0.72
ALDH1A1 P00352 6/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 1/20 0.72
MEN1 O00255 7/20 0.70
MAPK1 P28482 3/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 3/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 2/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67

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
SCHEMBL13532194 0.92 KMT2A (0.85) KMT2AHTTHSD17B10CASP1TP53
SCHEMBL13532184 0.90 KMT2A (0.82) KMT2AHTTHSD17B10CASP1TP53
SCHEMBL4250870 0.90 KMT2A (0.81) KMT2AHTTHSD17B10CASP1TP53
SCHEMBL7321050 0.89 KMT2A (0.80) KMT2AHTTHSD17B10CASP1ALDH1A1
SCHEMBL4247271 0.88 KMT2A (0.78) KMT2AHTTHSD17B10CASP1SMN1; SMN2
SCHEMBL31174712 0.87 KMT2A (0.77) KMT2AHTTHSD17B10CASP1SMN1; SMN2
SCHEMBL13532172 0.86 KMT2A (0.76) KMT2AHTTHSD17B10CASP1TP53
SCHEMBL13532208 0.86 ALB (0.82) KMT2ATP53POLBALDH1A1MEN1
SCHEMBL3491206 0.85 TP53 (1.00) KMT2AHSD17B10TP53POLBSMN1; SMN2
SCHEMBL6348773 0.84 ALB (0.80) KMT2ATP53ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016310-A1 METHODS OF USING ARYL SULFONYL COMPOUNDS EFFECTIVE AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 US disclosed
WO-2008022171-A1 METHODS OF USING ARYL SULFONYL COMPOUNDS EFFECTIVE AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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-20100016310-A1 METHODS OF USING ARYL SULFONYL COMPOUNDS EFFECTIVE AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 2861/4885HTT 2852/4885HSD17B10 226/4885

“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.