SCHEMBL5066697

SCHEMBL5066697

CCCCOC(=O)N1CC(Sc2ccc(Br)cc2)C[C@H]1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
ECE1 P42892 1/20 0.35
CTSS P25774 2/20 0.34
ALDH1A1 P00352 3/20 0.34
ACE P12821 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
FKBP1A P62942 1/20 0.33
LMNA P02545 1/20 0.32

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 0.82 MMP2 (0.44) MMP2KMT2AMMP1MMP3MMP7
SCHEMBL5063285 0.82 MMP2 (0.44) MMP2KMT2AMMP1MMP3MMP7
SCHEMBL5275231 0.78 MMP2 (0.38) MMP2ECE1ALDH1A1GBA2LMNA
SCHEMBL19899348 0.78 ECE1 (0.41) MMP2ECE1ALDH1A1ACE
SCHEMBL3196097 0.77 ALDH1A1 (0.41) CTSSALDH1A1KMT2A
SCHEMBL16619795 0.74 GBA2 (0.46) MMP2ECE1ALDH1A1GBA2LMNA
SCHEMBL6819743 0.74 ALDH1A1 (0.48) MMP2ECE1ALDH1A1KMT2AMMP9
SCHEMBL10084211 0.74 ALDH1A1 (0.48) MMP2ECE1ALDH1A1KMT2AMMP9
SCHEMBL28819356 0.74 ALDH1A1 (0.48) MMP2ECE1ALDH1A1KMT2AMMP9
SCHEMBL16758164 0.74 ALDH1A1 (0.48) MMP2ECE1ALDH1A1KMT2AMMP9

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 8 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
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (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 3533/4885ECE1 1415/4885CTSS 3772/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ MMP2 3533/4885ECE1 1415/4885CTSS 3772/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ MMP2 3533/4885ECE1 1415/4885CTSS 3772/4885

“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.