SCHEMBL16163646

SCHEMBL16163646

CS(=O)(=O)c1ccc(C[C@H](N)C(=O)O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RGS12 O14924 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
THPO P40225 1/20 0.43
CASP7 P55210 1/20 0.43
GNAI1 P63096 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3779976 0.81 LMNA (0.47) LMNAALDH1A1MAPTCYP3A4ALOX15
SCHEMBL2900705 0.79 USP2 (0.47) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL2900708 0.79 USP2 (0.47) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL30225671 0.79 USP2 (0.47) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL13743627 0.79 USP2 (0.47) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL44904 0.79 HDAC8 (0.58) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL1613174 0.79 HDAC8 (0.58) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL29350881 0.79 HDAC8 (0.58) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL44905 0.79 HDAC8 (0.58) LMNAUSP2ALDH1A1MAPTRGS12
SCHEMBL13176065 0.79 LMNA (0.44) LMNAALDH1A1MAPTCYP3A4ALOX15

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-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 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-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 LMNA 1571/4885USP2 3920/4885ALDH1A1 1441/4885

“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.