SCHEMBL3744743

SCHEMBL3744743

SC1=COC(Cc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.35
FASN P49327 1/20 0.34
IDO1 P14902 1/20 0.33
GRM2 Q14416 1/20 0.33
GBA1 P04062 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL5754991 0.77 TAAR1 (0.39) CTRB1FASNGRM2SLC6A2SLC6A4
SCHEMBL746094 0.77 CTRB1 (0.35) CTRB1FASNGRM2GBA1
SCHEMBL3972137 0.77 CTRB1 (0.35) CTRB1FASN
SCHEMBL17512439 0.76 CALM1 (0.39) CTRB1FASNGRM2GBA1F2
SCHEMBL16398868 0.76 TP53 (0.41) CTRB1FASN
SCHEMBL7703226 0.74 KDM4E (0.35) CTRB1FASNTAAR1
SCHEMBL6076922 0.74 TSHR (0.40) CTRB1FASNGRM2GBA1F2
SCHEMBL201288 0.74 HTT (0.39) CTRB1FASN
SCHEMBL699638 0.74 CTRB1 (0.33) CTRB1FASNGRM2GBA1F2
SCHEMBL230546 0.73 CTRB1 (0.36) CTRB1FASNGRM2F2PRSS1

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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US claimed
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 CTRB1 744/4885FASN 99/4885IDO1 434/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CTRB1 2288/4885FASN 1905/4885IDO1 4419/4885

“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.