SCHEMBL12717727

SCHEMBL12717727

O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1cccc(C(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ ALDH1A1 P00352 5/20 0.62
▸ MAPK1 P28482 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ NTRK2 Q16620 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RECQL P46063 1/20 0.51

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
SCHEMBL31396071 0.89 MEN1 (0.65) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL21952075 0.89 MEN1 (0.65) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL22010389 0.86 HPGD (0.69) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL21952070 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL31396394 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL21952060 0.83 KMT2A (0.58) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL31396269 0.83 KMT2A (0.58) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL21952023 0.82 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL31396267 0.82 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL21952093 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
WO-2007059195-A1 INTEGRIN-BINDING SMALL MOLECULES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-05-24 — — 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-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES ITGB3, ITGB5, ITGA2B MEN1 4015/4885KMT2A 4552/4885ALDH1A1 2723/4885

“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.

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