SCHEMBL16706489

SCHEMBL16706489

CC(C)C[C@H](NN)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(CC(N)=O)C(=O)N[C@H](C(=O)NC(CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CO)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.69
▸ VIPR1 P32241 4/20 0.60
▸ KDM1A O60341 2/20 0.58
▸ VIPR2 P41587 6/20 0.57
▸ GLP1R P43220 1/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ KISS1R Q969F8 7/20 0.55

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
SCHEMBL15471608 0.98 TFPI (0.65) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL13540733 0.98 TFPI (0.65) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL13540736 0.97 TFPI (0.68) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL13540742 0.96 TFPI (0.65) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL15235437 0.95 TFPI (0.62) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL15235440 0.94 TFPI (0.62) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL14822780 0.94 TFPI (0.62) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL16706481 0.93 TFPI (0.60) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL15235439 0.93 VIPR1 (0.63) TFPIVIPR1KDM1AVIPR2GLP1R
SCHEMBL15471605 0.93 TFPI (0.69) TFPIVIPR1VIPR2GLP1RGCGR

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-9181301-B2 TDF-related compounds and analogs thereof THRASOS INNOVATION, INC. (CA) 2015-11-10 — — US disclosed
US-20150132355-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF THRASOS, INC. 2015-05-14 — — 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-20150132355-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF PGF, EDF1, DCTD TFPI 149/4885VIPR1 975/4885KDM1A 2509/4885

“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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