SCHEMBL17130736

SCHEMBL17130736

COC(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.78
ALDH1A1 P00352 4/20 0.78
KLK7 P49862 1/20 0.78
SMN1; SMN2 Q16637 4/20 0.72
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
HPGD P15428 5/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
RECQL P46063 2/20 0.66
USP2 O75604 1/20 0.66
ESR1 P03372 1/20 0.66
MCL1 Q07820 1/20 0.66
BAP1 Q92560 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.62

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
SCHEMBL17130651 0.91 MAPT (0.81) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL20313781 0.89 KLK7 (0.63) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130648 0.88 SMN1; SMN2 (0.77) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130650 0.85 SMN1; SMN2 (0.80) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130747 0.85 KLK7 (0.74) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130733 0.84 SMN1; SMN2 (0.79) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130734 0.84 KLK7 (0.73) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL17130740 0.83 SMN1; SMN2 (0.70) MAPTALDH1A1KLK7SMN1; SMN2POLB
SCHEMBL22640065 0.82 SCN9A (0.67) MAPTALDH1A1KLK7POLBL3MBTL1
SCHEMBL11887745 0.81 POLB (0.78) MAPTALDH1A1KLK7SMN1; SMN2POLB

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-20180179166-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE VIROCARB INC (CA) 2018-06-28 US disclosed
WO-2015143535-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE VIROCARB INC. (CA) 2015-10-01 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-20180179166-A1 SMALL MOLECULE INHIBITORS OF GP120-MEDIATED HIV INFECTION AND METHODS OF USE CD4, HAVCR2, CCR5 MAPT 2922/4885ALDH1A1 2880/4885KLK7 1959/4885

“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.