SCHEMBL5892016

SCHEMBL5892016

COc1ccccc1S(=O)(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
NSD2 O96028 3/20 0.56
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
FABP4 P15090 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CNR1 P21554 1/20 0.47
NR3C2 P08235 1/20 0.47
SLC22A12 Q96S37 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL5166693 0.86 NR3C2 (0.57) SMN1; SMN2NSD2ALDH1A1L3MBTL1CYP1A2
SCHEMBL5166003 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NSD2ALDH1A1L3MBTL1FABP4
SCHEMBL5167263 0.79 SMN1; SMN2 (0.56) SMN1; SMN2NSD2ALDH1A1L3MBTL1FABP4
SCHEMBL5891884 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL4662881 0.76 CYP19A1 (0.84) CYP19A1SMN1; SMN2NSD2ALDH1A1L3MBTL1
SCHEMBL120014 0.73 CYP19A1 (0.84) CYP19A1SMN1; SMN2ALDH1A1L3MBTL1CYP1A2
SCHEMBL5163905 0.72 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1FABP4CYP1A2
SCHEMBL7958982 0.72 POLB (0.60) SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL28593071 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL16715360 0.72 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1FABP4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS CYP19A1 3934/4885SMN1; SMN2 3478/4885NSD2 807/4885

“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.