SCHEMBL3112458

SCHEMBL3112458

O=C1[C@H](NS(=O)(=O)c2ccc(F)cc2)CC=CCN1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.52
MMP9 P14780 8/20 0.52
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
AR P10275 1/20 0.42
HTR1A P08908 5/20 0.39
HTR7 P34969 5/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37

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
SCHEMBL3101506 0.85 MMP2 (0.64) MMP2MMP9MMP3MMP13AR
SCHEMBL3107582 0.84 MMP2 (0.46) MMP2MMP9MMP3MMP13SMN1; SMN2
SCHEMBL4698153 0.80 F10 (0.51) MMP2MMP9MMP3MMP13AR
SCHEMBL4698155 0.80 F10 (0.51) MMP2MMP9MMP3MMP13AR
SCHEMBL4700809 0.73 MMP2 (0.45) MMP2MMP9MMP3MMP13AR
SCHEMBL4701580 0.71 F10 (0.45) DRD2MEN1KMT2A
SCHEMBL4701576 0.71 F10 (0.45) DRD2MEN1KMT2A
SCHEMBL3103563 0.71 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3103570 0.71 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3108099 0.69 KMT2A (0.43) CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP3 17/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP3 17/4885

“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.