Sugi Predict

Sugi Predict / Compounds / SCHEMBL1922337

SCHEMBL1922337

SCHEMBL1922337

CC(=O)N(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.45
▸ PTGDR2 Q9Y5Y4 4/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ PTGDR Q13258 2/20 0.43
▸ CETP P11597 2/20 0.42
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MTOR P42345 1/20 0.38
▸ PTGES O14684 2/20 0.38
▸ LIPE Q05469 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PTGIR P43119 1/20 0.37

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
SCHEMBL13428453 0.91 PTGDR2 (0.45) GPBAR1PTGDR2TBXA2RPTGDRCETP
SCHEMBL1921901 0.87 PTGDR2 (0.47) PTGDR2
SCHEMBL154820 0.87 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCETPLIPE
SCHEMBL4847533 0.86 CETP (0.46) GPBAR1PTGDR2TBXA2RPTGDRCETP
SCHEMBL16501882 0.84 HSD17B10 (0.41) LMNANPSR1GAA
SCHEMBL17387585 0.84 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL153236 0.84 HDAC1 (0.41) GPBAR1PTGDR2TBXA2RPTGDRCETP
SCHEMBL151700 0.82 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCETPLMNA
SCHEMBL135406 0.82 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL3398318 0.81 PTGDR2 (0.46) PTGDR2LMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 — — US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 — — US disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 — — EP disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — US disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 — — 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 36/4885PTGDR2 2/4885TBXA2R 6/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GPBAR1 32/4885PTGDR2 2/4885TBXA2R 6/4885

“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.