SCHEMBL4749255

SCHEMBL4749255

CC(C)C(=O)Nc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
PTGER4 P35408 10/20 0.36
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
CACNA2D1 P54289 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CNR2 P34972 1/20 0.33
APP P05067 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL14573819 0.90 CASP3 (0.38) IDH1PTGER4TSHRPOLBKDM4E
SCHEMBL12378085 0.89 IDH1 (0.38) IDH1PTGER4CACNA2D1LMNAL3MBTL1
SCHEMBL14573775 0.87 LMNA (0.34) IDH1PTGER4TSHRPOLBCACNA2D1
SCHEMBL14573785 0.86 IDH1 (0.37) IDH1PTGER4CACNA2D1KDM4EALDH1A1
SCHEMBL14573800 0.86 IDH1 (0.36) IDH1PTGER4CACNA2D1KDM4EALDH1A1
SCHEMBL4142672 0.85 IDH1 (0.39) IDH1PTGER4TSHRCACNA2D1LMNA
SCHEMBL4157402 0.85 IDH1 (0.35) IDH1PTGER4TSHRPOLBCACNA2D1
SCHEMBL4150126 0.85 KDM4E (0.38) IDH1CACNA2D1LMNAKDM4EL3MBTL1
SCHEMBL4689963 0.85 KDM4E (0.39) IDH1TSHRPOLBLMNAKDM4E
SCHEMBL14573878 0.85 PTGER4 (0.33) IDH1PTGER4TSHRPOLBCACNA2D1

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-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS IDH1 104/4885PTGER4 3914/4885TSHR 4773/4885

“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.