SCHEMBL2361920

SCHEMBL2361920

CC1(C(=O)O)CCCCCS1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4284616 0.91
SCHEMBL8773152 0.68 LMNA (0.43) CYP3A4MEN1KMT2A
SCHEMBL7573395 0.67 FFAR3 (0.38) FFAR3CYP2C19SMN1; SMN2
Acetone SCHEMBL7408369 0.67
SCHEMBL25213839 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2
SCHEMBL60503 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2
SCHEMBL14627497 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2
SCHEMBL18449 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2
SCHEMBL13075808 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2
SCHEMBL11922843 0.66 FFAR3 (0.72) FFAR3CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916679-B2 Peptides binding to the dimer interface of thymidylate synthase for the treatment of cancer Universita′ degli Studi di Modena e Reggio Emilia (IT) 2014-12-23 US claimed
WO-2011103583-A2 METHODS AND COMPOSITIONS RELATED TO ANTI-ANGIOGENIC PEPTIDES UNIVERSITY OF CHICAGO (US) 2011-08-25 WO claimed
EP-3628047-A1 TUMOR ASSOCIATED MONOCYTE/MACROPHAGE BINDING PEPTIDE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-01 EP disclosed
WO-2018204392-A1 TUMOR ASSOCIATED MONOCYTE/MACROPHAGE BINDING PEPTIDE AND METHODS OF USE THEREOF STANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE (US) 2018-11-08 WO disclosed
EP-3074417-A1 CXCR ANTAGONISTIC PEPTIDES AND USES THEREOF Unm.Stc (US) 2016-10-05 EP disclosed
WO-2015077763-A1 CXCR ANTAGONISTIC PEPTIDES AND USES THEREOF STC.UNM (US) 2015-05-28 WO disclosed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
WO-2013163431-A1 DIAGNOSIS AND TREATMENT OF BRAIN TUMOR SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-10-31 WO disclosed
US-4481194-A DIURETICS SMITHKLINE BECKMAN CORPORATION (US) 1984-11-06 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 (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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 FFAR3 2031/4885CYP2C19 166/4885CYP3A4 260/4885

“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.