SCHEMBL5063285

SCHEMBL5063285

COC(=O)[C@@H]1CC(Sc2ccc(Br)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
RORC P51449 2/20 0.37
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP30 Q70CQ3 1/20 0.36
FPR2 P25090 1/20 0.36
MCL1 Q07820 1/20 0.36
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL14175326 1.00 MMP2 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL2059282 0.90 CYP1A2 (0.46) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL6842749 0.90 CYP1A2 (0.46) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL12589789 0.90 CYP1A2 (0.46) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL6847624 0.89 P2RX3 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL6847628 0.89 P2RX3 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL3182686 0.88 ACE (0.43) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL700092 0.88 NR1H2 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL6847765 0.88 NR1H2 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2
SCHEMBL6847598 0.88 NR1H2 (0.44) MMP2NR1H2NR1H3PTPN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 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 (3 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ MMP2 3533/4885NR1H2 3691/4885NR1H3 3668/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ MMP2 3533/4885NR1H2 3691/4885NR1H3 3668/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ MMP2 3533/4885NR1H2 3691/4885NR1H3 3668/4885

“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.