SCHEMBL12224809

SCHEMBL12224809

CCc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
LMNA P02545 2/20 0.76
PKM P14618 1/20 0.76
MAPT P10636 3/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.62
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA12 O43570 5/20 0.62
CA9 Q16790 4/20 0.62
THRB P10828 1/20 0.60
CA4 P22748 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA5B Q9Y2D0 1/20 0.57

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
SCHEMBL12224808 0.88 MEN1 (0.63) MEN1KMT2ALMNAPKMMAPT
SCHEMBL24355560 0.87 MEN1 (0.81) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL10143991 0.80 MAPT (0.66) MEN1KMT2ALMNAPKMMAPT
SCHEMBL2562498 0.79 MAPT (0.58) MEN1KMT2ALMNAPKMMAPT
SCHEMBL11887691 0.78 LMNA (0.69) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL21729896 0.78 RAB9A (0.67) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7794429 0.78 CA1 (0.69) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15579508 0.78 POLB (0.77) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL13263684 0.76 CA1 (1.00) MEN1KMT2ALMNAMAPTCA1
SCHEMBL4302252 0.76 KMT2A (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673913-B2 SHP-2 phosphatase inhibitor CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-18 US disclosed
US-8673913-B2 SHP-2 phosphatase inhibitor CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-18 US disclosed
US-20110257184-A1 SHP-2 PHOSPHATASE INHIBITOR CASE WESTERN RESERVE UNIVERSITY 2011-10-20 US disclosed
US-20110257184-A1 SHP-2 PHOSPHATASE INHIBITOR CASE WESTERN RESERVE UNIVERSITY 2011-10-20 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-20110257184-A1 SHP-2 PHOSPHATASE INHIBITOR PTPN2, PTPRJ, SHPRH MEN1 3073/4885KMT2A 1528/4885LMNA 4738/4885

“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.