Sugi Predict

Sugi Predict / Compounds / SCHEMBL4526608

SCHEMBL4526608

SCHEMBL4526608

CC(=O)c1sc(N)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 6/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RORB Q92753 4/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ CDK8 P49336 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33

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
SCHEMBL11330712 0.83 ALDH1A1 (0.41) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL874572 0.83 ALDH1A1 (0.41) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL28070522 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL27687091 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL14269337 0.79 MAPT (0.56) ALDH1A1MAPTPOLBCYP1A2KDM4E
SCHEMBL6114165 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL244255 0.77 ALDH1A1 (0.76) ALDH1A1HPGDMAPTCYP1A2KDM4E
SCHEMBL2314406 0.75 MAPT (0.49) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL2616362 0.74 ALDH1A1 (0.46) ALDH1A1HPGDMAPTPOLBCYP1A2
SCHEMBL4526441 0.74 DYRK1A (0.47) ALDH1A1HPGDMAPTCYP1A2KDM4E

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 20 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
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — WO disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — WO disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 — — WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 — — WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 — — US disclosed
US-7151096-B2 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-12-19 — — US disclosed
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2004-11-25 — — US disclosed
WO-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 — — WO disclosed
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 — — US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 — — US disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 — — 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 (5 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 ALDH1A1 234/4885HPGD 957/4885MAPT 4151/4885
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 ALDH1A1 1395/4885HPGD 316/4885MAPT 4402/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885HPGD 2130/4885MAPT 1418/4885
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors CDK2, CDK5, CDK1 ALDH1A1 4646/4885HPGD 2118/4885MAPT 1064/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 ALDH1A1 648/4885HPGD 739/4885MAPT 3531/4885

“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.