SCHEMBL1856705

SCHEMBL1856705

CC(C)(C)OC(=O)c1ccc(-c2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LSS P48449 1/20 0.46
PPARA Q07869 3/20 0.46
PPARD Q03181 1/20 0.46
RXRA P19793 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
EPHX2 P34913 2/20 0.44
MAPK14 Q16539 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PPARG P37231 2/20 0.44
KDM1A O60341 2/20 0.44
CRHBP P24387 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
SCHEMBL11887279 0.83 CES2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL4716383 0.83 S1PR1 (0.46) S1PR1HDAC1HDAC8LSSPPARA
SCHEMBL6419964 0.80 SRD5A2 (0.60) S1PR1HDAC1HDAC8LSSPPARA
SCHEMBL1856984 0.78 MAPT (0.41) S1PR1HDAC1CA1CA2CA12
SCHEMBL2173128 0.77 LOXL2 (0.47) CA1CA2CA12CA9CA14
SCHEMBL1853151 0.77 CYP17A1 (0.54) HDAC1PPARAEPHX2PPARGSMN1; SMN2
SCHEMBL16355776 0.76 LMNA (0.50) S1PR1CA1CA2CA12CA9
SCHEMBL6350965 0.76 CA12 (0.71) CA1CA2CA12CA9CA14
SCHEMBL31047974 0.75 CA12 (0.58) CA1CA2CA12CA9CA14
SCHEMBL18954397 0.75 EPHX2 (0.50) HDAC8CA1CA2CA12CA9

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 S1PR1 3093/4885HDAC1 2136/4885HDAC8 2841/4885

“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.