SCHEMBL503061

SCHEMBL503061

CCC(CC)(Cc1c(SC(C)(C)C)c2cc(OCc3ccc(C)cn3)ccc2n1Cc1ccc(-c2ncc(OC)cn2)cc1)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.86
PTGS1 P23219 7/20 0.86
CYP3A4 P08684 4/20 0.86
CYP2C9 P11712 4/20 0.86
ALOX5 P09917 1/20 0.67
LTC4S Q16873 1/20 0.67

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
SCHEMBL3478637 0.94 ALOX5AP (0.76) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3468396 0.93 ALOX5AP (0.74) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3462840 0.93 ALOX5AP (0.76) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL503310 0.92 ALOX5AP (1.00) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3462267 0.91 ALOX5AP (0.76) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3469195 0.90 ALOX5AP (0.86) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL5537875 0.90 ALOX5AP (0.69) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3462884 0.89 ALOX5AP (0.68) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3462590 0.89 ALOX5AP (0.70) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL3467978 0.89 ALOX5AP (0.73) ALOX5APPTGS1CYP3A4CYP2C9ALOX5

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232031-A1 INJECTABLE FORMULATIONS FOR INTRA-ARTICULAR OR PERI-ARTICULAR ADMINISTRATION PANMIRA PHARMACEUTICALS, LLC (US) 2012-09-13 US claimed
US-20120027842-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE AMIRA PHARMACEUTICALS, INC. (US) 2012-02-02 US claimed
US-20110311613-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS AMIRA PHARMACEUTICAL, INC. (US) 2011-12-22 US claimed
EP-2381945-A2 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS Amira Pharmaceuticals, Inc. (US) 2011-11-02 EP claimed
WO-2010075314-A2 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-01 WO claimed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US claimed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9572785-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-02-21 US disclosed
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF BRICKELL BIOTECH, INC. 2016-05-19 US disclosed
US-8815917-B2 DP2 antagonist and uses thereof PANMIRA PHARMACEUTICALS, LLC (US) 2014-08-26 US disclosed
US-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
EP-2521713-A2 DP2 ANTAGONIST AND USES THEREOF Panmira Pharmaceuticals, LLC (US) 2012-11-14 EP 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
WO-2011085033-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-07-14 WO disclosed
US-20110034558-A1 DP2 Antagonist and Uses Thereof AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
WO-2011014587-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed
WO-2011014588-A2 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (6 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-20110034558-A1 DP2 Antagonist and Uses Thereof PTGER2, PTGES2, PTGDR2 ALOX5AP 63/4885PTGS1 28/4885CYP3A4 2374/4885
US-20120027842-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE FEN1, SERPINB1, EYA2 ALOX5AP 100/4885PTGS1 264/4885CYP3A4 4571/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885PTGS1 27/4885CYP3A4 912/4885
US-20110311613-A1 TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS TSLP, SUCLG1, SERPINB1 ALOX5AP 96/4885PTGS1 495/4885CYP3A4 4448/4885
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 ALOX5AP 70/4885PTGS1 25/4885CYP3A4 2497/4885
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGES2, PTGDR2 ALOX5AP 63/4885PTGS1 28/4885CYP3A4 2374/4885

“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.