SCHEMBL19932178

SCHEMBL19932178

CC(C)(C)OC(=O)Nc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.48
CXCR1 P25024 1/20 0.48
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ATR Q13535 1/20 0.41
LCK P06239 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CX3CR1 P49238 1/20 0.37
CYP17A1 P05093 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
METAP1 P53582 1/20 0.36
MIF P14174 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL31122321 0.85 HSP90AA1 (0.42) CXCR2CXCR1HSP90AA1HSP90AB1ATR
SCHEMBL19932183 0.82 TAS1R3 (0.42) HSP90AA1HSP90AB1ATRLCKMEN1
SCHEMBL28146075 0.79 MEN1 (0.60) LCKMEN1MAPK1KMT2ALMNA
SCHEMBL5562914 0.79 PRMT1 (0.41) HSP90AA1HSP90AB1ATRLCKMEN1
SCHEMBL34472852 0.78 ATR (0.41) HSP90AA1HSP90AB1ATRLCKCYP17A1
SCHEMBL5423774 0.78 PDK1 (0.57) HSP90AA1HSP90AB1ATRLCKCYP17A1
SCHEMBL29534865 0.78 ATR (0.41) HSP90AA1HSP90AB1ATRLCKMEN1
SCHEMBL3784448 0.77 GPR35 (0.50) HSP90AA1HSP90AB1ATRLCKMEN1
SCHEMBL28738831 0.76 PDK1 (0.56) HSP90AA1HSP90AB1MEN1KMT2APOLB
SCHEMBL6056066 0.76 RAB9A (0.54) MEN1KMT2ALMNAPOLB

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 CXCR2 4/4885CXCR1 2/4885HSP90AA1 2961/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 CXCR2 4/4885CXCR1 2/4885HSP90AA1 2961/4885

“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.