SCHEMBL1853389

SCHEMBL1853389

Cc1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 7/20 0.45
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL318720 0.94 TDP1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL6350965 0.92 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL2076830 0.86 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL109451 0.85 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL26879464 0.85 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL19497926 0.85 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL6355405 0.85 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL1854635 0.83 DHODH (0.48) CA12CA1CA2CA9CA14
SCHEMBL3531288 0.83 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL8097425 0.83 CA12 (0.66) CA12CA1CA2CA9CA14

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 CA12 3834/4885CA1 3610/4885CA2 2693/4885

“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.