SCHEMBL15464436

SCHEMBL15464436

Cc1cc(CCCCOS(C)(=O)=O)cc(C)c1Br

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FUT7 Q11130 2/20 0.32
PDIA6 Q15084 1/20 0.30
SKP2 Q13309 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
SCHEMBL15262553 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL9689090 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL15465511 0.78 SKP2 (0.36) ALDH1A1LMNACA1CA2CA9
SCHEMBL16825858 0.77 TSHR (0.52) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL30173751 0.76 KDM4E (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL15262898 0.76 SKP2 (0.37) ALDH1A1CA1CA2CA9SKP2
SCHEMBL26316551 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16395010 0.75 CA2 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2658522 0.73 KDM4E (0.56) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL23014971 0.71 KDM4E (0.54) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 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 (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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885KDM4E 3958/4885USP2 3626/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 ALDH1A1 3081/4885KDM4E 3958/4885USP2 3626/4885

“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.