SCHEMBL4512426

SCHEMBL4512426

COC(=O)CCc1ccc(NC(N)=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
IDO1 P14902 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL27534910 0.87 EPHX2 (0.54) EPHX2IDO1SMN1; SMN2ALDH1A1HPGD
SCHEMBL25230746 0.84 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL7688792 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL4523190 0.82 SIRT2 (0.60) ALDH1A1HPGDCYP3A4CYP2C9ALOX12
SCHEMBL7328828 0.82 POLB (0.53) EPHX2ALDH1A1
SCHEMBL393227 0.82 EPHX2 (0.56) EPHX2IDO1SMN1; SMN2ALDH1A1HPGD
SCHEMBL22922181 0.81 CYP4F2 (0.59) EPHX2IDO1ALDH1A1HTTMAPT
SCHEMBL9251956 0.81 SMN1; SMN2 (0.50) IDO1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16573272 0.80 EPHX2 (0.55) EPHX2SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL14717782 0.80 EPHX2 (0.56) EPHX2IDO1ALDH1A1HPGDHTT

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-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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 (2 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB EPHX2 4191/4885IDO1 2215/4885SMN1; SMN2 4287/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC EPHX2 4034/4885IDO1 1520/4885SMN1; SMN2 1799/4885

“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.