SCHEMBL5385156

SCHEMBL5385156

COC(=O)CCc1ccc(F)cc1C[C@H]1C2CC[C@@H](O2)[C@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.36
SLC6A4 P31645 11/20 0.34
SLC6A3 Q01959 11/20 0.34
SLC6A2 P23975 10/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL5385148 1.00 TBXA2R (0.36) TBXA2RSLC6A4SLC6A3SLC6A2PDE4D
SCHEMBL14415439 1.00 TBXA2R (0.36) TBXA2RSLC6A4SLC6A3SLC6A2PDE4D
SCHEMBL250155 0.87 LMNA (0.41) TBXA2RSLC6A4SLC6A3
SCHEMBL14415445 0.86 SLC6A3 (0.35) TBXA2RSLC6A4SLC6A3SLC6A2PDE4D
SCHEMBL14415444 0.82 KDM4E (0.35) TBXA2RSLC6A4SLC6A3PDE4D
SCHEMBL14415451 0.80 TBXA2R (0.48) TBXA2R
SCHEMBL14415446 0.79 TBXA2R (0.57) TBXA2R
SCHEMBL14415443 0.76 TBXA2R (0.35) TBXA2R
SCHEMBL249279 0.76 TBXA2R (0.40) TBXA2R
SCHEMBL249477 0.75 TBXA2R (0.38) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273883-B2 Prostaglandin EP4 antagonist ALLERGAN, INC. (US) 2007-09-25 US disclosed
US-7217725-B2 Prostaglandin D2 antagonist ALLERGAN, INC. (US) 2007-05-15 US disclosed
US-20050065200-A1 Prostaglandin EP4 antagonist ALLERGAN, INC. (US) 2005-03-24 US disclosed
US-20040162323-A1 Prostaglandin D2 antagonist ALLERGAN, INC. 2004-08-19 US disclosed
US-6716864-B2 FOR THERAPY OF INFLAMMATORY REACTIONS RELATING TO RHEUMATOID ARTHRITIS AND PSORIASIS, REPRODUCTIVE DISORDERS, BRONCHOCONSTRICTIVE DISORDERS (ASTHMA), EXCESSIVE BONE BREAKDOWN (OSTEOPOROSIS), PEPTIC ULCERS, HEART DISEASE ALLERGAN, INC. 2004-04-06 US disclosed
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN INC. 2003-06-05 US disclosed
US-6511999-B2 Treating rheumatoid arthritis and psoriasis, reproductive disorders, bronchoconstrictive disorders (asthma), osteoporosis, peptic ulcers, heart disease, and thrombosis ALLERGAN, INC. 2003-01-28 US disclosed
US-6509364-B2 Antiinflammatory agents for reactions relating to rheumatoid arthritis and psoriasis, reproductive disorders, broncho-constrictive disorders, excessive bone breakdown, peptic ulcers, heart disease, platelet aggregation and thrombosis ALLERGAN, INC. 2003-01-21 US disclosed
US-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists ALLERGAN SALES, INC. 2002-11-07 US disclosed
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN, INC. 2002-09-12 US disclosed
US-6407250-B1 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; OSTEOPOROSIS ALLERGAN SALES, INC. 2002-06-18 US disclosed
US-6369089-B1 INFLAMMATORY REACTIONS RELATING TO RHEUMATOID ARTHRITIS AND PSORIASIS, REPRODUCTIVE DISORDERS, BRONCHOCONSTRICTIVE DISORDERS (ASTHMA), EXCESSIVE BONE BREAKDOWN (OSTEOPOROSIS), PEPTIC ULCERS, HEART DISEASE, PLATELET AGGREGATION AND ALLERGAN SALES, INC. 2002-04-09 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-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists PTGIR, PTGER1, TBXA2R TBXA2R 3/4885SLC6A4 4720/4885SLC6A3 4862/4885
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR TBXA2R 7/4885SLC6A4 4571/4885SLC6A3 4811/4885
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR TBXA2R 6/4885SLC6A4 4578/4885SLC6A3 4833/4885
US-20050065200-A1 Prostaglandin EP4 antagonist PTGER4, PTGER1, PTGER2 TBXA2R 71/4885SLC6A4 368/4885SLC6A3 2110/4885
US-20040162323-A1 Prostaglandin D2 antagonist PTGDR2, PTGDR, PTGS1 TBXA2R 15/4885SLC6A4 1859/4885SLC6A3 1161/4885

“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.