SCHEMBL2047110

SCHEMBL2047110

SN1CSc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL31168244 0.71 NOTUM (0.38) HSD17B3KMT2AKDM4EALDH1A1
SCHEMBL4538011 0.71 NOTUM (0.38) HSD17B3KMT2AKDM4EALDH1A1
SCHEMBL8868709 0.67 MAPT (0.42) HSD17B3CYP1A2CYP2C19MAPTKMT2A
SCHEMBL13111741 0.61 LMNA (0.48) HSD17B3MAPTKMT2ALMNAALDH1A1
SCHEMBL31552864 0.61 HSD17B3 (0.34) HSD17B3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11369450 0.58 HSD17B3 (0.34) HSD17B3CYP1A2CYP2C19MAPTKMT2A
SCHEMBL17356870 0.58 CYP1A2 (0.45) CYP1A2CYP2C19MAPTKMT2AMEN1
SCHEMBL8471378 0.57 AHR (0.37) MAPTKMT2AMEN1VHLELOC
SCHEMBL9508955 0.57 BCHE (0.48) LMNAVHLELOCELOBALDH1A1
SCHEMBL4929830 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150181-A2 COMPOSITIONS AND METHODS FOR TREATING OR INHIBITING INFECTION BY FRANCISELLA TULARENSIS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-12-01 WO disclosed
US-20110135689-A1 Vaccine, therapeutic composition and methods for treating or inhibiting francisella tularenis UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-06-09 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-20110135689-A1 Vaccine, therapeutic composition and methods for treating or inhibiting francisella tularenis STING1, IFNG, FPR2 HSD17B3 2093/4885CYP1A2 4471/4885CYP2C9 4604/4885

“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.