SCHEMBL14822779

SCHEMBL14822779

CC(C)CC(NC(=O)[C@H](CS)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](CS)NC(=O)C(Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NN)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 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.56
▸ NPY1R P25929 10/20 0.56
▸ NPY5R Q15761 9/20 0.56
▸ NPY2R P49146 6/20 0.56
▸ TFPI P10646 1/20 0.54
▸ KISS1R Q969F8 4/20 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
SCHEMBL15235448 0.99 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL13540751 0.99 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL14822778 0.96 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL13540731 0.95 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL15235437 0.95 TFPI (0.62) TFPIKISS1R
SCHEMBL13540717 0.93 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL13540720 0.93 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL14822780 0.93 TFPI (0.62) TFPIKISS1R
SCHEMBL15235440 0.93 TFPI (0.62) TFPIKISS1R
SCHEMBL15471604 0.92 KISS1R (0.58) NPY4RNPY1RNPY5RNPY2RTFPI

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-20150126451-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF, ANALOGS AND BIOACTIVE FRAGMENTS THRASOS INNOVATION INC (CA) 2015-05-07 — — US disclosed
US-8916686-B2 TDF-related compounds and analogs thereof THRASOS INNOVATION, INC. (CA) 2014-12-23 — — US disclosed
US-8911953-B2 TDF-related compounds and analogs thereof, analogs and bioactive fragments THRASOS INNOVATION, INC. (CA) 2014-12-16 — — US disclosed
US-20140044754-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF THRASOS, INC. 2014-02-13 — — US disclosed
US-20130231294-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF, ANALOGS AND BIOACTIVE FRAGMENTS THRASOS, INC. 2013-09-05 — — US disclosed
US-8410246-B2 TDF-related compounds and analogs thereof THRASOS, INC. (US) 2013-04-02 — — 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-20150126451-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF, ANALOGS AND BIOACTIVE FRAGMENTS PGF, EDF1, HDGF NPY4R 1338/4885NPY1R 1381/4885NPY5R 1502/4885
US-20140044754-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF PGF, EDF1, DCTD NPY4R 1912/4885NPY1R 1862/4885NPY5R 1831/4885
US-20130231294-A1 TDF-RELATED COMPOUNDS AND ANALOGS THEREOF, ANALOGS AND BIOACTIVE FRAGMENTS PGF, EDF1, HDGF NPY4R 1338/4885NPY1R 1381/4885NPY5R 1502/4885

“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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