SCHEMBL12551122

SCHEMBL12551122

O=C(O)C[C@@H](NC(=O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGAV P06756 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGA2B P08514 1/20 0.45
REN P00797 2/20 0.45
EEF2K O00418 2/20 0.44
ADAMTS4 O75173 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TYK2 P29597 1/20 0.43
F11 P03951 1/20 0.43
CASP3 P42574 1/20 0.42
CA12 O43570 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1953367 0.88 EEF2K (0.62) ITGB3ALDH1A1POLBATML3MBTL1
SCHEMBL1953365 0.88 EEF2K (0.62) ITGB3ALDH1A1POLBATML3MBTL1
SCHEMBL16622590 0.86 NR1H2 (0.46) ALDH1A1POLBRENMEN1KMT2A
SCHEMBL12551117 0.86 NR1H2 (0.46) ALDH1A1POLBRENMEN1KMT2A
SCHEMBL15640367 0.83 PTGDR (0.42) ITGB3ITGAVPOLBITGA2BSMN1; SMN2
SCHEMBL15640366 0.83 PTGDR (0.42) ITGB3ITGAVPOLBITGA2BSMN1; SMN2
SCHEMBL15640365 0.83 PTGDR (0.42) ITGB3ITGAVPOLBITGA2BSMN1; SMN2
SCHEMBL9829153 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BSMN1; SMN2F11
SCHEMBL1953273 0.80 ALDH1A1 (0.47) ALDH1A1POLBRENSMN1; SMN2TYK2
SCHEMBL1953275 0.80 ALDH1A1 (0.47) ALDH1A1POLBRENSMN1; SMN2TYK2

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-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 EP disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 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 (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-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 ITGB3 3530/4885ITGAV 3854/4885ALDH1A1 335/4885

“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.