SCHEMBL4831354

SCHEMBL4831354

O=C(Cl)C1(c2cc(F)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.43
PSEN1 P49768 16/20 0.42
PSEN2 P49810 16/20 0.42
APH1B Q8WW43 16/20 0.42
NCSTN Q92542 16/20 0.42
APH1A Q96BI3 16/20 0.42
PSENEN Q9NZ42 16/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC4 P56524 2/20 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
SCHEMBL4979190 0.84 PSEN1 (0.48) ELOVL1PSEN1PSEN2APH1BNCSTN
SCHEMBL14263409 0.82 CES2 (0.46) ELOVL1PSEN1PSEN2APH1BNCSTN
SCHEMBL20241935 0.78 HDAC4 (0.57) ELOVL1PSEN1PSEN2APH1BNCSTN
SCHEMBL28296820 0.77 PSEN1 (0.49) ELOVL1PSEN1PSEN2APH1BNCSTN
SCHEMBL18742469 0.76 HDAC4 (0.46) ELOVL1PSEN1PSEN2APH1BNCSTN
SCHEMBL4811086 0.73 HDAC4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17508231 0.73 HSD11B1 (0.46)
SCHEMBL21051848 0.73 AKR1C3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21051840 0.72 HDAC4 (0.39) HDAC4
SCHEMBL4962846 0.72 DGAT1 (0.42) HDAC4

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
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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 (2 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK ELOVL1 2987/4885PSEN1 2600/4885PSEN2 1266/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ELOVL1 3790/4885PSEN1 2399/4885PSEN2 942/4885

“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.