SCHEMBL3565107

SCHEMBL3565107

CC(C)(C)C(c1ccc(-c2cc3nccc(Cl)c3s2)cc1)N(CC1CCCO1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 3/20 0.38
▸ OXTR P30559 7/20 0.37
▸ AVPR1A P37288 4/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAP3K8 P41279 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5089101 0.89 STK17B (0.36) STK17BOXTRAVPR1AKMT2AALDH1A1
SCHEMBL3626959 0.81 POLB (0.47) OXTRAVPR1APOLB
SCHEMBL3565103 0.80 POLB (0.45) OXTRAVPR1AKMT2APOLB
SCHEMBL15225861 0.79 HTT (0.41) KMT2AALDH1A1KDM4EPOLBPKM
SCHEMBL15225860 0.74 SLC6A3 (0.35) STK17BKMT2AMAP3K8MCHR1
SCHEMBL1479076 0.71 MET (0.33) STK17BKMT2AMAP3K8MCHR1
SCHEMBL15225858 0.69 EGFR (0.35) STK17BMAP3K8MCHR1MAPK1
SCHEMBL2533961 0.64 MCHR1 (0.32) STK17BKMT2AMAP3K8MCHR1
SCHEMBL6002954 0.63 IKBKB (0.54) STK17BKMT2AKDM4EMAP3K8MCHR1
SCHEMBL3710058 0.62 GRIN3B (0.33) STK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 — — US disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 — — US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 — — 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 (2 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 STK17B 975/4885OXTR 1000/4885AVPR1A 569/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 STK17B 975/4885OXTR 1000/4885AVPR1A 569/4885

“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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