SCHEMBL6650374

SCHEMBL6650374

O=C(O)C[C@H](CCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CTRB1 P17538 2/20 0.56
SLC1A3 P43003 1/20 0.55
SLC1A1 P43005 1/20 0.55
CASP1 P29466 9/20 0.54
FOLH1 Q04609 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SYK P43405 1/20 0.50

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
SCHEMBL19285611 1.00 HTT (0.58) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL6649610 0.92 HTT (0.63) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL6652290 0.92 HTT (0.63) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL1024311 0.91 FOLH1 (0.61) HTTLMNASMN1; SMN2FOLH1
SCHEMBL7064119 0.90 FOLH1 (0.60) HTTLMNASMN1; SMN2FOLH1
SCHEMBL6653860 0.90 FOLH1 (0.60) HTTLMNASMN1; SMN2FOLH1
SCHEMBL1022899 0.89 SYK (0.67) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL20556459 0.89 SYK (0.67) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL6372825 0.89 SYK (0.60) HTTLMNASMN1; SMN2CTRB1SLC1A3
SCHEMBL6372820 0.89 SYK (0.60) HTTLMNASMN1; SMN2CTRB1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556854-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-11 US disclosed
US-20190084919-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-21 US disclosed
WO-2017147333-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
WO-2017147333-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 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 (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-10556854-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HTT 4490/4885LMNA 3655/4885SMN1; SMN2 4878/4885
US-20190084919-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HTT 4490/4885LMNA 3655/4885SMN1; SMN2 4878/4885

“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.