SCHEMBL5378118

SCHEMBL5378118

CC(C)C(C)(C)[Si](C)(C)OCCCc1ccc(F)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
P2RX7 Q99572 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL30817963 0.87 DUT (0.36) ADAMTS4MMP2MMP13MMP14P2RX7
SCHEMBL17979880 0.87 DUT (0.36) ADAMTS4MMP2MMP13MMP14P2RX7
SCHEMBL9009573 0.82 TAAR1 (0.37)
SCHEMBL31573468 0.79 P2RX7 (0.34) ADAMTS4MMP2MMP13MMP14P2RX7
SCHEMBL20220477 0.73 SLC6A4 (0.36) P2RX7
SCHEMBL9566318 0.73 TAAR1 (0.39)
SCHEMBL9566323 0.72 SIGMAR1 (0.40)
SCHEMBL17410221 0.71 PYCR1 (0.36)
SCHEMBL9009571 0.71
SCHEMBL6844318 0.71

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 14 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
EP-1317457-A2 INTERHETEROARYL 7-OXABICYCLIC 2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F 2$g(a)? ANTAGONISTS Allergan, Inc. (US) 2003-06-11 EP disclosed
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN INC. 2003-06-05 US disclosed
US-6511999-B2 Treating rheumatoid arthritis and psoriasis, reproductive disorders, bronchoconstrictive disorders (asthma), osteoporosis, peptic ulcers, heart disease, and thrombosis ALLERGAN, INC. 2003-01-28 US disclosed
US-6509364-B2 Antiinflammatory agents for reactions relating to rheumatoid arthritis and psoriasis, reproductive disorders, broncho-constrictive disorders, excessive bone breakdown, peptic ulcers, heart disease, platelet aggregation and thrombosis ALLERGAN, INC. 2003-01-21 US disclosed
US-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists ALLERGAN SALES, INC. 2002-11-07 US disclosed
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN, INC. 2002-09-12 US disclosed
US-6407250-B1 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; OSTEOPOROSIS ALLERGAN SALES, INC. 2002-06-18 US disclosed
US-6369089-B1 INFLAMMATORY REACTIONS RELATING TO RHEUMATOID ARTHRITIS AND PSORIASIS, REPRODUCTIVE DISORDERS, BRONCHOCONSTRICTIVE DISORDERS (ASTHMA), EXCESSIVE BONE BREAKDOWN (OSTEOPOROSIS), PEPTIC ULCERS, HEART DISEASE, PLATELET AGGREGATION AND ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002022620-A2 INTERHETEROARYL 7-OXABICYCLIC [2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2$G(A) ANTAGONISTS ALLERGAN, INC. (US) 2002-03-21 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 (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 ADAMTS4 2174/4885MMP2 1972/4885MMP13 1388/4885
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR ADAMTS4 1778/4885MMP2 1667/4885MMP13 872/4885
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR ADAMTS4 1854/4885MMP2 1738/4885MMP13 768/4885
US-20050065200-A1 Prostaglandin EP4 antagonist PTGER4, PTGER1, PTGER2 ADAMTS4 2949/4885MMP2 2589/4885MMP13 1281/4885
US-20040162323-A1 Prostaglandin D2 antagonist PTGDR2, PTGDR, PTGS1 ADAMTS4 3554/4885MMP2 1935/4885MMP13 1581/4885

“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.