SCHEMBL2823071

SCHEMBL2823071

CCc1[nH]c(C(=O)O)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTPRB P23467 1/20 0.46
TOP2A P11388 2/20 0.40
LMNA P02545 2/20 0.38
HCAR2 Q8TDS4 3/20 0.38
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RHEB Q15382 2/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30

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
Hydrochloric Acid SCHEMBL2824409 0.98 HSD17B10 (0.44) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2823399 0.85 KDM4E (0.43) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2824407 0.85 TOP2A (0.40) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL13173051 0.85 TOP2A (0.40) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL13787637 0.83 TOP2A (0.47) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2825505 0.79 KDM4E (0.51) HSD17B10KDM4ECYP2C9TOP2AALDH1A1
SCHEMBL2822746 0.78 HCAR2 (0.43) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2822836 0.77 LMNA (0.38) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2824744 0.74 LMNA (0.40) HSD17B10KDM4ECYP3A4CYP2C9PTPRB
SCHEMBL2822546 0.74 KDM4E (0.50) HSD17B10KDM4ECYP3A4CYP2C9PTPRB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137574-B Hydroxyalkyl thiadiazole derivatives 第一三共株式会社 2021-12-28 CN disclosed
US-10752647-B2 N-phosphonoxymethyl prodrugs of hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-25 US disclosed
US-10752647-B2 N-phosphonoxymethyl prodrugs of hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-25 US disclosed
EP-3356361-B1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2020-07-08 EP disclosed
EP-3356361-B1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2020-07-08 EP disclosed
US-20200040019-A1 N-PHOSPHONOXYMETHL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-02-06 US disclosed
US-20200040019-A1 N-PHOSPHONOXYMETHL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-02-06 US disclosed
US-10399968-B2 Hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-03 US disclosed
US-10399968-B2 Hydroxyalkyl thiadiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-09-03 US disclosed
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-11-15 US disclosed
EP-3356361-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-08 EP disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (6 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-10399968-B2 Hydroxyalkyl thiadiazole derivatives TOP1, TOP2B, TOP2A HSD17B10 177/4885KDM4E 1593/4885CYP3A4 144/4885
US-10752647-B2 N-phosphonoxymethyl prodrugs of hydroxyalkyl thiadiazole derivatives PHYKPL, SLC34A1, PNKP HSD17B10 1043/4885KDM4E 4253/4885CYP3A4 541/4885
US-20200040019-A1 N-PHOSPHONOXYMETHL PRODRUGS OF HYDROXYALKYL THIADIAZOLE DERIVATIVES PHYKPL, SLC34A1, PNKP HSD17B10 997/4885KDM4E 4583/4885CYP3A4 422/4885
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HSD17B10 1828/4885KDM4E 206/4885CYP3A4 345/4885
US-20180327399-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES TOP1, TOP2B, TOP2A HSD17B10 177/4885KDM4E 1593/4885CYP3A4 144/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HSD17B10 937/4885KDM4E 211/4885CYP3A4 53/4885

“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.