SCHEMBL18196604

SCHEMBL18196604

CCC[C@H](NC(=O)c1ccc(OC(=O)OC)c(OC(=O)OC)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.55
TAS1R1 Q7RTX1 12/20 0.55
GPR132 Q9UNW8 3/20 0.46
CA2 P00918 1/20 0.45
RAB9A P51151 2/20 0.43
PPARG P37231 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
FOLH1 Q04609 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL18196634 0.86 TAS1R3 (0.48) TAS1R3TAS1R1GPR132CA2
SCHEMBL4160485 0.81 TAS1R3 (0.82) TAS1R3TAS1R1CA2RAB9APPARG
SCHEMBL18332904 0.81 TAS1R3 (0.45) TAS1R3TAS1R1GPR132CA2FOLH1
SCHEMBL11877343 0.77 MAPK1 (0.62) TAS1R3TAS1R1
SCHEMBL11877322 0.77 MAPK1 (0.62) TAS1R3TAS1R1
SCHEMBL18196739 0.76 FOLH1 (0.40) TAS1R3TAS1R1RAB9AFOLH1NPC1
SCHEMBL18803717 0.75 CA2 (0.57) TAS1R3TAS1R1CA2RAB9AFOLH1
SCHEMBL9829285 0.74 RAB9A (0.60) GPR132CA2RAB9AFOLH1NPC1
SCHEMBL3948327 0.74 RAB9A (0.60) GPR132CA2RAB9AFOLH1NPC1
SCHEMBL4168755 0.74 TAS1R3 (0.83) TAS1R3TAS1R1CA2GRNSORT1

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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 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 (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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 TAS1R3 3866/4885TAS1R1 4224/4885GPR132 4144/4885

“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.