SCHEMBL7076569

SCHEMBL7076569

C#CN(C(=O)c1ccccc1)c1ccccc1S(=O)(=O)NC(=O)c1cccc(OCc2ccccc2)c1.c1cc2ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.53
BCL2L1 Q07817 12/20 0.53
MCL1 Q07820 12/20 0.53
GUSB P08236 1/20 0.46
NR4A2 P43354 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
GPR132 Q9UNW8 1/20 0.44

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
SCHEMBL7052824 0.76 SMPD1 (0.62) SMPD1BCL2L1MCL1NR4A2NR1H4
SCHEMBL7076566 0.76 BCL2L1 (0.55) SMPD1BCL2L1MCL1NR4A2NR1H4
SCHEMBL7076349 0.76 BCL2L1 (0.43) BCL2L1MCL1
SCHEMBL7045604 0.76 SMPD1 (0.61) SMPD1BCL2L1MCL1NR4A2NR1H4
SCHEMBL7076910 0.73 HDAC1 (0.59) SMPD1BCL2L1MCL1NR1H4
SCHEMBL7044608 0.72 SMPD1 (0.53) SMPD1BCL2L1MCL1NR4A2NR1H4
SCHEMBL7076564 0.72 HDAC1 (0.55) SMPD1BCL2L1MCL1NR1H4
SCHEMBL7050679 0.71 ALDH1A1 (0.32)
SCHEMBL1608032 0.70 SMPD1 (1.00) SMPD1GUSBNR4A2NR1H4GPR132
SCHEMBL7081001 0.70 HDAC1 (0.56) SMPD1BCL2L1MCL1NR1H4

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-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 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-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN SMPD1 760/4885BCL2L1 1792/4885MCL1 2343/4885

“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.