SCHEMBL14782868

SCHEMBL14782868

O=C1CCC=C1Oc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
ALDH1A1 P00352 2/20 0.34
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CA1 P00915 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
LTA4H P09960 2/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTGS2 P35354 1/20 0.33
SRD5A2 P31213 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
SCHEMBL14785830 0.71 CA1 (0.47) CA2CA9CA1CA14
SCHEMBL7556597 0.69
SCHEMBL3842527 0.67 MAPT (0.74) CES2CES1MAPTMAOBMAOA
SCHEMBL3843978 0.67 MAPT (0.74) CES2CES1MAPTMAOBMAOA
SCHEMBL391385 0.67 MAPT (0.74) CES2CES1MAPTMAOBMAOA
SCHEMBL17274548 0.65 MAPT (0.42) CES2CES1MAPTMAOBMAOA
Phosphine SCHEMBL23732402 0.65 MAPT (0.70) CES2CES1MAPTMAOBMAOA
SCHEMBL29377477 0.65 MAPT (0.70) CES2CES1MAPTMAOBMAOA
SCHEMBL11545012 0.65
SCHEMBL4129595 0.65 MAPT (0.50) CES2CES1MAPTMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755722-B1 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD (IN) 2017-05-24 EP disclosed
US-9018249-B2 SGLT inhibitors PANACEA BIOTEC LIMITED (IN) 2015-04-28 US disclosed
US-20140378540-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC PHARMA LIMITED (IN) 2014-12-25 US disclosed
EP-2755722-A2 NOVEL SGLT INHIBITORS Panacea Biotec Ltd. (IN) 2014-07-23 EP disclosed
WO-2013038429-A2 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD. (IN) 2013-03-21 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 (1 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-20140378540-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 CES2 1782/4885CES1 591/4885MAPT 65/4885

“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.