SCHEMBL4521444

SCHEMBL4521444

NC(=S)Nc1ccccc1CCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ALDH1A1 P00352 6/20 0.45
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TAS2R38 P59533 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL1922317 0.85 L3MBTL1 (0.55) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL6920737 0.84 ALDH1A1 (0.51) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL31126451 0.84 ALDH1A1 (0.51) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL30105270 0.83 GAA (0.47) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL2487614 0.81 TRPV1 (0.40) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL27691054 0.81 L3MBTL1 (0.55) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL7258705 0.80 ALDH1A1 (0.42) L3MBTL1ALDH1A1GAAMAPTTRPV1
SCHEMBL10487204 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL5527102 0.79 MAPT (0.69) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL7593748 0.77 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAAMAPTKMT2A

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 12 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
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 — — EP disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 — — CN disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 — — EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 — — WO disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 — — EP disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 — — EP disclosed
US-5496816-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO., INC. (US) 1996-03-05 — — US disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 — — WO 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 L3MBTL1 1332/4885ALDH1A1 234/4885GAA 4479/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC L3MBTL1 1502/4885ALDH1A1 174/4885GAA 3788/4885

“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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