SCHEMBL1856687

SCHEMBL1856687

Cc1ccc(-c2cccc(C(=O)OC(C)(C)C)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.41
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
SLC6A4 P31645 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL517 0.85 SLC6A3 (0.50) SLC6A3KMT2ANPC1RAB9AGAA
SCHEMBL28603374 0.79 AR (0.40) KMT2ANPC1RAB9AALDH1A1TSHR
SCHEMBL6900241 0.78 SLC6A3 (0.68) SLC6A3KMT2ANPC1RAB9ASLC6A4
SCHEMBL29287831 0.77 KMT2A (0.47) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL3639210 0.74 BDKRB1 (0.45) MAPTALDH1A1MAPK1TSHRHSD17B10
SCHEMBL12276805 0.74 CES2 (0.39) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL28325393 0.74 MEN1 (0.38) KMT2ANPC1RAB9AALDH1A1TSHR
Bromomethane SCHEMBL7011845 0.74 SLC6A3 (0.50) SLC6A3KMT2AGAASLC6A4ALDH1A1
SCHEMBL9402298 0.74 SLC6A3 (0.46) SLC6A3KMT2AGAASLC6A4MAPT
SCHEMBL9531321 0.73 BCAT2 (0.52) SLC6A3KMT2AGAASLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SLC6A3 3511/4885KMT2A 740/4885NPC1 2939/4885

“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.