Sugi Predict

Sugi Predict / Compounds / SCHEMBL2872803

SCHEMBL2872803

SCHEMBL2872803

CCC(=O)Nc1cccc(C#Cc2ccc(C(=O)N[C@@H](CNC(=O)O)C(=O)NO)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL2872807 1.00 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL1105606 0.88 KMT2A (0.41) SMN1; SMN2KMT2A
SCHEMBL405144 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL18023289 0.84 — —
SCHEMBL401048 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL401049 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL4522215 0.84 — —
SCHEMBL4522218 0.84 — —
SCHEMBL405112 0.82 KMT2A (0.47) SMN1; SMN2KMT2A
SCHEMBL12056006 0.81 CA1 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 — — US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 — — US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 — — 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885

“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.