SCHEMBL19253993

SCHEMBL19253993

CCCCCCCCCCCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 17/20 0.75
SIRT1 Q96EB6 12/20 0.75
FOLH1 Q04609 3/20 0.67
SIRT3 Q9NTG7 9/20 0.65

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
SCHEMBL23702277 1.00 SIRT2 (0.75) SIRT2SIRT1FOLH1SIRT3
SCHEMBL20542631 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543121 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543119 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20542633 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543157 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543026 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543029 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20542849 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3
SCHEMBL20543156 0.93 SIRT2 (0.74) SIRT2SIRT1SIRT3

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-10765656-B2 Isothiocyanate functional compounds augmented with secondary antineoplastic medicaments and associated methods for treating neoplasms THE WILLIAM M. YARBROUGH FOUNDATION (US) 2020-09-08 US disclosed
US-20200179324-A1 ISOTHIOCYANATE FUNCTIONAL COMPOUNDS AUGMENTED WITH SECONDARY ANTINEOPLASTIC MEDICAMENTS AND ASSOCIATED METHODS FOR TREATING NEOPLASMS THE WILLIAM M. YARBROUGH FOUNDATION 2020-06-11 US disclosed
US-20180037545-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING ISOTHIOCYANATE FUNCTIONAL SURFACTANTS AND ASSOCIATED METHODS FOR TREATING BIOFILMS THE WILLIAM M. YARBROUGH FOUNDATION 2018-02-08 US disclosed
US-20170239207-A1 Method for Treating Skin Cancer THE WILLIAM M. YARBROUGH FOUNDATION 2017-08-24 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 (4 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-20180037545-A1 ISOTHIOCYANATE FUNCTIONAL SURFACTANTS, FORMULATIONS INCORPORATING ISOTHIOCYANATE FUNCTIONAL SURFACTANTS AND ASSOCIATED METHODS FOR TREATING BIOFILMS CFTR, TST, CBS SIRT2 537/4885SIRT1 531/4885FOLH1 1249/4885
US-20170239207-A1 Method for Treating Skin Cancer MGMT, KRT18, TYR SIRT2 1868/4885SIRT1 2270/4885FOLH1 1016/4885
US-10765656-B2 Isothiocyanate functional compounds augmented with secondary antineoplastic medicaments and associated methods for treating neoplasms TP53, GSTA2, GSTA1 SIRT2 1046/4885SIRT1 1288/4885FOLH1 624/4885
US-20200179324-A1 ISOTHIOCYANATE FUNCTIONAL COMPOUNDS AUGMENTED WITH SECONDARY ANTINEOPLASTIC MEDICAMENTS AND ASSOCIATED METHODS FOR TREATING NEOPLASMS TP53, GSTA2, GSTA1 SIRT2 1046/4885SIRT1 1288/4885FOLH1 624/4885

“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.