SCHEMBL19731565

SCHEMBL19731565

C/C=C1/N(CC)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 4/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
FOLH1 Q04609 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL18855496 1.00 MEN1 (0.38) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL27334574 0.84 PTPN1 (0.42) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL20635012 0.82 MEN1 (0.49) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL7751495 0.80 MAPT (0.36) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL7751489 0.80 MAPT (0.36) MEN1KMT2AMAPTCYP2C19CYP3A4
SCHEMBL21158099 0.77 KMT2A (0.47) MEN1KMT2AMAPTCYP2C19GAA
SCHEMBL15133879 0.77 FOLH1 (0.42) MEN1KMT2AMAPTFOLH1LMNA
SCHEMBL7662999 0.77 MEN1 (0.61) MEN1KMT2AMAPTFOLH1LMNA
SCHEMBL7663002 0.77 MEN1 (0.61) MEN1KMT2AMAPTFOLH1LMNA
SCHEMBL19662368 0.76 FOLH1 (0.48) MEN1KMT2AMAPTFOLH1LMNA

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-20170362624-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS Life Technologies Corporation 2017-12-21 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-20170362624-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS PTMS, DNPEP, BTD MEN1 4419/4885KMT2A 1216/4885MAPT 4546/4885

“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.