SCHEMBL381238

SCHEMBL381238

COC(=O)CCCCCNC(N)=S

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
RECQL P46063 1/20 0.41

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
SCHEMBL4521783 0.92 TSHR (0.54) EPHX2TSHRLMNAALDH1A1CA12
SCHEMBL2033309 0.85 TSHR (0.54) EPHX2TSHRLMNAALDH1A1RECQL
SCHEMBL4520317 0.84 CA12 (0.52) EPHX2TSHRLMNAALDH1A1CA12
SCHEMBL6632846 0.83 PRMT1 (0.35) EPHX2TSHRLMNAALDH1A1
SCHEMBL14729453 0.83 EPHX2 (0.52) EPHX2CA12CA2CA9
SCHEMBL4103229 0.81 EPHX2 (0.50) EPHX2TSHRLMNAALDH1A1RECQL
SCHEMBL4093088 0.79 TSHR (0.52) EPHX2TSHRLMNAALDH1A1RECQL
SCHEMBL130413 0.79 KDM4E (0.67) EPHX2TSHRLMNAALDH1A1RECQL
SCHEMBL9002644 0.79 EPHX1 (0.64) EPHX2TSHRLMNAALDH1A1RECQL
SCHEMBL6014001 0.79 EPHX1 (0.64) EPHX2TSHRLMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 EPHX2 4462/4885TSHR 573/4885LMNA 3813/4885

“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.