SCHEMBL17130651

SCHEMBL17130651

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.81
POLB P06746 4/20 0.81
HPGD P15428 2/20 0.81
KMT2A Q03164 2/20 0.81
RECQL P46063 2/20 0.81
L3MBTL1 Q9Y468 2/20 0.81
MEN1 O00255 1/20 0.81
USP2 O75604 1/20 0.81
ESR1 P03372 1/20 0.81
MCL1 Q07820 1/20 0.81
BAP1 Q92560 1/20 0.81
HSD17B10 Q99714 1/20 0.81
CTDSP1 Q9GZU7 1/20 0.81
KLK7 P49862 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 3/20 0.68
TP53 P04637 1/20 0.64
ESR2 Q92731 1/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL17130736 0.91 MAPT (0.78) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130743 0.86 POLB (0.61) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130737 0.86 SMN1; SMN2 (0.66) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130734 0.85 KLK7 (0.73) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130648 0.85 SMN1; SMN2 (0.77) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130650 0.82 SMN1; SMN2 (0.80) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130747 0.82 KLK7 (0.74) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17354708 0.82 ALDH1A1 (0.82) MAPTPOLBHPGDKMT2ARECQL
SCHEMBL17130733 0.82 SMN1; SMN2 (0.79) MAPTPOLBKMT2ARECQLL3MBTL1
SCHEMBL17130740 0.80 SMN1; SMN2 (0.70) MAPTPOLBKMT2ARECQLL3MBTL1

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 2922/4885POLB 2208/4885HPGD 359/4885

“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.