SCHEMBL3518907

SCHEMBL3518907

Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](CC=CCCC(=O)O)[C@@H](c3cccnc3)O2)c(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 1.00
PTGIS Q16647 13/20 1.00
TBXA2R P21731 1/20 0.76

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
SCHEMBL3518900 1.00 TBXAS1 (1.00) TBXAS1PTGISTBXA2R
SCHEMBL9035683 1.00 TBXAS1 (1.00) TBXAS1PTGISTBXA2R
SCHEMBL9765942 0.92 TBXAS1 (0.84) TBXAS1PTGIS
SCHEMBL9765855 0.86 TBXAS1 (1.00) TBXAS1PTGISTBXA2R
SCHEMBL9765856 0.86 TBXAS1 (1.00) TBXAS1PTGISTBXA2R
SCHEMBL9765895 0.85 TBXAS1 (0.85) TBXAS1PTGISTBXA2R
SCHEMBL9765884 0.83 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765888 0.83 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9161390 0.83 TBXAS1 (1.00) TBXAS1PTGIS
SCHEMBL9765876 0.81 TBXAS1 (1.00) TBXAS1PTGIS

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-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 US claimed
US-6436997-B1 Endogenous nitric oxide synthesis under conditions of low oxygen tension NITROMED, INC. 2002-08-20 US claimed
US-9834820-B2 Methods for the treatment and diagnosis of bone mineral density related diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-12-05 US disclosed
EP-2227560-B1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-10-18 EP disclosed
US-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES Universite De Paris (FR) 2015-04-16 US disclosed
US-20100284991-A1 Methods for the Treatment and Diagnosis of Bone Mineral Density Related Diseases INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-11-11 US disclosed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 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-20100284991-A1 Methods for the Treatment and Diagnosis of Bone Mineral Density Related Diseases TBXAS1, TBXA2R, HPGDS TBXAS1 1/4885PTGIS 5/4885TBXA2R 2/4885
US-20150104437-A1 METHODS FOR THE TREATMENT AND DIAGNOSIS OF BONE MINERAL DENSITY RELATED DISEASES TBXAS1, TBXA2R, HPGDS TBXAS1 1/4885PTGIS 7/4885TBXA2R 2/4885

“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.