SCHEMBL11932912

SCHEMBL11932912

CC(C)CC(NNC(CCC(=O)O)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)N[C@@H](CCCCN)C(=O)C(=O)[C@H](CCC(=O)O)NCNC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CO)NN[C@H](C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NN[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 6/20 0.64
▸ NR3C1 P04150 6/20 0.63
▸ GLP1R P43220 2/20 0.60
▸ VIPR1 P32241 5/20 0.59
▸ VIPR2 P41587 5/20 0.59
▸ CCKBR P32239 1/20 0.57

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
SCHEMBL12405403 0.93 TFPI (0.63) TFPINR3C1GLP1R
SCHEMBL2742706 0.88 NR3C1 (0.70) NR3C1GLP1RCCKBR
SCHEMBL2759455 0.88 NR3C1 (0.70) NR3C1GLP1RCCKBR
SCHEMBL2742863 0.87 TFPI (0.61) TFPINR3C1GLP1RVIPR1VIPR2
SCHEMBL5959058 0.87 GLP1R (0.68) NR3C1GLP1RCCKBR
SCHEMBL10015457 0.85 TFPI (0.60) TFPINR3C1GLP1RVIPR1VIPR2
SCHEMBL6123960 0.85 GLP1R (0.69) NR3C1GLP1RCCKBR
SCHEMBL10083215 0.84 GLP1R (0.70) NR3C1GLP1RCCKBR
SCHEMBL2752275 0.84 GLP1R (0.70) NR3C1GLP1RCCKBR
SCHEMBL15024692 0.83 GLP1R (0.67) NR3C1GLP1RCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172400-A1 SULFONAMIDES WITH HETEROCYCLE AND OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2012-07-05 — — 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-20120172400-A1 SULFONAMIDES WITH HETEROCYCLE AND OXADIAZOLONE HEADGROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS PPARD, PPARA, PPARG TFPI 691/4885NR3C1 1389/4885GLP1R 115/4885

“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.

Send feedback