SCHEMBL12701157

SCHEMBL12701157

CCOC(=O)CCSC(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ MMP8 P22894 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TOP2A P11388 1/20 0.40

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
SCHEMBL31290478 0.84 KDM4E (0.47) KDM4EPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL17123625 0.83 CYSLTR2 (0.48) CYP2C19ALDH1A1
SCHEMBL279780 0.82 KDM4E (0.49) KDM4EPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL11642471 0.77 CYP3A4 (0.51) KDM4EPOLBCYP3A4CYP2D6CYP2C19
SCHEMBL28633131 0.74 SMN1; SMN2 (0.51) POLBCYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL28008650 0.74 F2 (0.48) KDM4ECYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL398106 0.74 ALDH1A1 (0.49) CYP3A4CYP2D6CYP2C19KMT2AMMP8
SCHEMBL18379438 0.73 LMNA (0.43) POLBCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL21480035 0.73 SMN1; SMN2 (0.51) KDM4EPOLBMAPTKMT2ASMN1; SMN2
SCHEMBL7344673 0.73 ALDH1A1 (0.61) KDM4EPOLBCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 — — US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 — — US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 — — US disclosed
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 — — US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 — — 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 KDM4E 4480/4885POLB 4329/4885CYP3A4 372/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO KDM4E 3583/4885POLB 3793/4885CYP3A4 1092/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 KDM4E 4480/4885POLB 4329/4885CYP3A4 372/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 KDM4E 4480/4885POLB 4329/4885CYP3A4 372/4885

“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.

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