SCHEMBL4299834

SCHEMBL4299834

O=C(NS(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1)[C@@H](CCCCN1CCOCC1)NO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.42
EPHX2 P34913 6/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1800301 0.77 MEN1 (0.41) TACR2EPHX2NPSR1KDM4EALDH1A1
SCHEMBL4374935 0.74 BCL2L1 (0.47) SCN9AMMP2MMP9MMP13MMP14
SCHEMBL3868533 0.73 MMP9 (0.38) TACR2MEN1KMT2ASCN9AMMP2
SCHEMBL1800801 0.71 PSEN1 (0.41) EPHX2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3878927 0.70 MMP13 (0.53) TACR2ALDH1A1KMT2AMMP2MMP9
SCHEMBL1797412 0.69 ADAMTS7 (0.49) PKMMEN1KMT2AMMP2MMP9
SCHEMBL1797411 0.69 ADAMTS7 (0.49) PKMMEN1KMT2AMMP2MMP9
SCHEMBL3869204 0.68 MEN1 (0.48) TACR2NPSR1KDM4EALDH1A1PKM
SCHEMBL4372950 0.68 MAPK1 (0.44) ALDH1A1LMNAKMT2ASCN9AMMP2
SCHEMBL3875831 0.67 MMP13 (0.54) TACR2ALDH1A1KMT2AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 TACR2 4125/4885EPHX2 2178/4885NPSR1 2709/4885

“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.