SCHEMBL503111

SCHEMBL503111

O=C(O)Cn1c2c(c3ncccc31)CC(NCS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.66
PTGDR Q13258 8/20 0.57
TBXA2R P21731 5/20 0.57
CYP2C9 P11712 2/20 0.50
ABCB11 O95342 1/20 0.47
DRD1 P21728 1/20 0.47
CCKAR P32238 1/20 0.47

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
SCHEMBL2522365 1.00 PTGDR2 (0.66) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2516077 1.00 PTGDR2 (0.66) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2516998 0.91 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2514401 0.91 PTGDR2 (0.57) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2515553 0.91 PTGDR2 (0.57) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2520067 0.91 PTGDR2 (0.57) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2516995 0.91 PTGDR2 (0.57) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2516901 0.89 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2514871 0.89 PTGDR2 (0.53) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2514410 0.88 PTGDR2 (0.74) PTGDR2PTGDRTBXA2RCYP2C9ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US claimed
US-20120184493-A1 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEEUTICALS, LLC (US) 2012-07-19 US claimed
US-8034826-B2 Cycloalkane[B]azaindole antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-10-11 US claimed
US-20100113503-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-06 US claimed
US-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US disclosed
US-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US disclosed
US-20120184493-A1 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEEUTICALS, LLC (US) 2012-07-19 US disclosed
US-20120027842-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE AMIRA PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20110311613-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS AMIRA PHARMACEUTICAL, INC. (US) 2011-12-22 US disclosed
US-8034826-B2 Cycloalkane[B]azaindole antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-10-11 US disclosed
US-20100113503-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-06 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 (5 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-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PTGER2, P2RY2, TBXA2R PTGDR2 5/4885PTGDR 13/4885TBXA2R 3/4885
US-20120184493-A1 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS BDKRB2, TRPV2, CYSLTR2 PTGDR2 14/4885PTGDR 29/4885TBXA2R 7/4885
US-20120027842-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE FEN1, SERPINB1, EYA2 PTGDR2 992/4885PTGDR 1522/4885TBXA2R 353/4885
US-20100113503-A1 CYCLOALKANE[B]AZAINDOLE ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885TBXA2R 6/4885
US-20110311613-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS TSLP, SUCLG1, SERPINB1 PTGDR2 1194/4885PTGDR 1813/4885TBXA2R 642/4885

“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.