SCHEMBL279780

SCHEMBL279780

CCOC(=O)CCSC(C(=O)OCC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MPO P05164 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB2 P47870 2/20 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
SCHEMBL31290478 0.87 KDM4E (0.47) KDM4EPOLBMMP8CYP3A4CYP2C19
SCHEMBL12701157 0.82 KDM4E (0.46) KDM4EPOLBMMP8CYP3A4CYP2C19
SCHEMBL11252374 0.81 KMT2A (0.49) KDM4ECHRM1CYP3A4CYP2C19MAPT
SCHEMBL5277965 0.80 ALDH1A1 (0.52) KDM4ECHRM1MMP8CYP3A4CYP2C19
SCHEMBL11780897 0.79 KDM4E (0.57) KDM4ECHRM1MMP8KMT2ASMN1; SMN2
SCHEMBL28639127 0.78 ALOX15 (0.46) MAPTKMT2AALDH1A1LMNA
SCHEMBL11642471 0.77 CYP3A4 (0.51) KDM4EPOLBMMP8CYP3A4CYP2C19
SCHEMBL11780904 0.76 KDM4E (0.55) KDM4ECHRM1MMP8KMT2ASMN1; SMN2
SCHEMBL28633131 0.74 SMN1; SMN2 (0.51) POLBMMP8CYP3A4CYP2C19CYP2D6
SCHEMBL12357099 0.74 ALDH1A1 (0.47) KDM4ECHRM1MMP8CYP3A4MAPT

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-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 — — US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 — — US disclosed
US-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 — — US disclosed
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2009-11-12 — — US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 — — US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 — — US disclosed
US-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-05-07 — — US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 — — US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 — — 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-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO KDM4E 3583/4885CHRM1 1179/4885POLB 3793/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 KDM4E 4486/4885CHRM1 872/4885POLB 4323/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL KDM4E 4435/4885CHRM1 830/4885POLB 4352/4885
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO KDM4E 4398/4885CHRM1 983/4885POLB 3683/4885

“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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