SCHEMBL4538196

SCHEMBL4538196

Cc1ccc(S(=O)(=O)OCCNC(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 9/20 0.52
TP53 P04637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NOD2 Q9HC29 1/20 0.48
USP2 O75604 1/20 0.46
CYP2C9 P11712 3/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
STAT3 P40763 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8768499 0.79 ALDH1A1 (0.63) TDP1POLBALDH1A1TP53NPSR1
SCHEMBL11828437 0.77 STAT3 (0.47) TDP1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL6924285 0.76 LMNA (0.59) LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL9311743 0.75 RECQL (0.57) TDP1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL12661780 0.75 ALDH1A1 (0.55) ALDH1A1TP53NPSR1LMNASMN1; SMN2
SCHEMBL31606584 0.73 CA12 (0.49) TDP1ALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL8746169 0.73 NPSR1 (0.44) ALDH1A1NPSR1HPGDSTAT3
SCHEMBL10539569 0.72 STAT3 (0.48) TDP1ALDH1A1NPSR1LMNACYP2C9
SCHEMBL13528494 0.72 MAPT (0.47) POLBALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9550978 0.72 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2CYP2C9HPGD

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-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA WASHINGTON STATE UNIVERSITY (US) 2016-07-28 US disclosed
US-9328129-B2 Peptidomimetic inhibitors of PSMA WASHINGTON STATE UNIVERSITY (US) 2016-05-03 US disclosed
US-20140010758-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA THE REGEANTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-09 US disclosed
WO-2012064914-A2 PEPTIDOMIMETIC INHIBITORS OF PSMA WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-18 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 (2 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-20160215006-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA PSMA1, PSMA3, PSMA2 TDP1 3315/4885POLB 2756/4885ALDH1A1 3493/4885
US-20140010758-A1 PEPTIDOMIMETIC INHIBITORS OF PSMA PSMA1, PSMA3, PSMA2 TDP1 3315/4885POLB 2756/4885ALDH1A1 3493/4885

“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.