SCHEMBL13540740

SCHEMBL13540740

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.63
▸ NPY4R P50391 10/20 0.56
▸ NPY1R P25929 8/20 0.56
▸ NPY5R Q15761 8/20 0.56
▸ NPY2R P49146 6/20 0.56
▸ KISS1R Q969F8 6/20 0.56
▸ VIPR1 P32241 1/20 0.53

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
SCHEMBL15471603 0.94 TFPI (0.66) TFPIVIPR1
SCHEMBL13540720 0.94 TFPI (0.60) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL13540749 0.92 TFPI (0.63) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL15471605 0.92 TFPI (0.69) TFPIVIPR1
SCHEMBL13540730 0.91 TFPI (0.60) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL13540742 0.90 TFPI (0.65) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL13540733 0.90 TFPI (0.65) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL15471608 0.90 TFPI (0.65) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL13540731 0.90 TFPI (0.60) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL13540717 0.90 TFPI (0.60) TFPINPY4RNPY1RNPY5RNPY2R

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-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
US-8916686-B2 TDF-related compounds and analogs thereof THRASOS INNOVATION, INC. (CA) 2014-12-23 — — US disclosed
US-20140044754-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF THRASOS, INC. 2014-02-13 — — US disclosed
US-8410246-B2 TDF-related compounds and analogs thereof THRASOS, INC. (US) 2013-04-02 — — US disclosed
US-20100015150-A1 Tdf-related compounds and analogs thereof THRASOS THERAPEUTICS, INC. (US) 2010-01-21 — — 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 (3 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-20100015150-A1 Tdf-related compounds and analogs thereof PGF, EDF1, DCTD TFPI 149/4885NPY4R 1912/4885NPY1R 1862/4885
US-20150132355-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF PGF, EDF1, DCTD TFPI 149/4885NPY4R 1912/4885NPY1R 1862/4885
US-20140044754-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF PGF, EDF1, DCTD TFPI 149/4885NPY4R 1912/4885NPY1R 1862/4885

“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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