SCHEMBL3066973

SCHEMBL3066973

CC(=O)c1sc(N)c(C(=O)O)c1C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HPGD P15428 3/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CISD2 Q8N5K1 5/20 0.50
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 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
SCHEMBL2807538 0.88 CISD2 (0.51) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9400300 0.79 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3497284 0.77 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2CISD2MAPT
SCHEMBL8198410 0.77 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3130253 0.76 GPR35 (0.43) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3496735 0.75 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL28773543 0.73 ALDH1A1 (0.41) ALDH1A1HPGDCISD2MAPTNPC1
SCHEMBL6030751 0.72 ALDH1A1 (0.57) ALDH1A1HPGDCISD2MAPTNPC1
SCHEMBL8290785 0.72 ALDH1A1 (0.58) ALDH1A1HPGDCISD2MAPTNPC1
SCHEMBL11039338 0.72 CISD2 (0.37) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
WO-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HPGD 1746/4885CYP1A2 2850/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ALDH1A1 772/4885HPGD 1821/4885CYP1A2 1967/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HPGD 1746/4885CYP1A2 2850/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B ALDH1A1 503/4885HPGD 1103/4885CYP1A2 1626/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HPGD 1746/4885CYP1A2 2850/4885

“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.