SCHEMBL3351980

SCHEMBL3351980

O=[N+]([O-])c1cc(Cl)c(OCc2ccccc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.54
PIN1 Q13526 2/20 0.49
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL31442504 0.95 PTGES (0.54) PTGESPIN1CTSVCTSLPOLB
SCHEMBL810879 0.95 PTGES (0.54) PTGESPIN1CTSVCTSLPOLB
SCHEMBL30792340 0.89 PTGES (0.51) PTGESPOLBCYP19A1MEN1KMT2A
SCHEMBL30792210 0.88 EGFR (0.46) PTGESMEN1KMT2AMAPTNPC1
SCHEMBL23537647 0.88 EGFR (0.46) PTGESMEN1KMT2AMAPTNPC1
SCHEMBL1137268 0.87 PTGES (0.57) PTGESPIN1CTSVCTSLPOLB
SCHEMBL18863826 0.87 POLB (0.54) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL29894219 0.87 POLB (0.54) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL30792239 0.85 PTGES (0.45) PTGESCTSVCTSLPOLBCYP19A1
SCHEMBL810439 0.85 PTGES (0.57) PTGESPIN1CTSVCTSLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-11-07 US disclosed
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 EP disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 CN disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US 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-20240368173-A1 TRICYCLIC GPR65 MODULATORS GPR65, GPR3, NR1H2 PTGES 1368/4885PIN1 4557/4885CTSV 3268/4885
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 PTGES 735/4885PIN1 1465/4885CTSV 2212/4885

“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.