SCHEMBL1770767

SCHEMBL1770767

C=C(COS(C)(=O)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
EGFR P00533 2/20 0.36
PTGS2 P35354 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9647298 0.85 MAOA (0.42) MAOAMAOBTSHRMAPTALDH1A1
SCHEMBL2540632 0.79 NPC1 (0.50) TSHRMAPTALDH1A1RAB9ALMNA
SCHEMBL11609342 0.79 MAOA (0.38) MAOAMAOBMAPTALDH1A1NPSR1
SCHEMBL1617208 0.77 STAT3 (0.52) MAPTALDH1A1PTGS2RAB9ALMNA
SCHEMBL15413487 0.75 MAOA (0.44) MAOAMAOBMAPTNPSR1EGFR
SCHEMBL58239 0.74 MAOA (0.47) MAOAMAOBTSHRMAPTALDH1A1
SCHEMBL27516701 0.74 TSHR (0.36) TSHRALDH1A1NPSR1PTGS2LMNA
SCHEMBL3752087 0.73 MAOA (0.50) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL161364 0.72 ALDH1A1 (0.50) MAOAMAOBTSHRMAPTALDH1A1
SCHEMBL9330920 0.71 MAOA (0.48) MAOAMAOBTSHRMAPTALDH1A1

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-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8841291-B2 Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG (CH) 2014-09-23 US disclosed
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2014-01-30 US disclosed
CN-102143942-A Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG 2011-08-03 CN disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 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 (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-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 MAOA 114/4885MAOB 227/4885TSHR 3825/4885
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 MAOA 110/4885MAOB 217/4885TSHR 3811/4885

“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.