SCHEMBL19932183

SCHEMBL19932183

COc1c(NC(=O)OC(C)(C)C)ccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
TAS1R2 Q8TE23 4/20 0.42
ATR Q13535 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LCK P06239 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL19932178 0.82 CXCR2 (0.48) ATRHSP90AA1HSP90AB1LCKMEN1
SCHEMBL19927338 0.80 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL4038402 0.79 ALDH1A1 (0.46) ATRALDH1A1KDM4EHSD17B10MEN1
SCHEMBL21500055 0.77 ATR (0.59) ATRLCKCYP17A1
SCHEMBL31701240 0.77 ATR (0.59) ATRLCKCYP17A1
SCHEMBL28146075 0.77 MEN1 (0.60) ALDH1A1LCKMEN1MAPK1KMT2A
SCHEMBL14598625 0.77 TDP1 (0.51) ATRHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL5562914 0.76 PRMT1 (0.41) ATRHSP90AA1HSP90AB1ALDH1A1LCK
SCHEMBL29534865 0.75 ATR (0.41) ATRHSP90AA1HSP90AB1ALDH1A1LCK
SCHEMBL8568137 0.75 ALDH1A1 (0.41) TAS1R3TAS1R1TAS1R2ATRHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 TAS1R3 503/4885TAS1R1 458/4885TAS1R2 568/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 TAS1R3 503/4885TAS1R1 458/4885TAS1R2 568/4885

“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.