SCHEMBL94596

SCHEMBL94596

CCCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.59
RAB9A P51151 5/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
NR4A1 P22736 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL4205450 0.92 IGF1R (0.71) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7119100 0.89 RAB9A (0.59) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7119893 0.86 IGF1R (0.70) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7119088 0.85 IGF1R (0.69) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7114812 0.84 IGF1R (0.73) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL9736828 0.82 RAB9A (0.55) RAB9AKMT2ANPC1POLBATM
SCHEMBL4203572 0.81 RAB9A (0.65) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL4499070 0.79 RAB9A (0.54) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7122278 0.77 RAB9A (0.54) IGF1RRAB9AKMT2ANPC1POLB
SCHEMBL7120457 0.76 RAB9A (0.53) IGF1RRAB9AKMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO claimed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
WO-2008076278-A2 METHODS OF CANCER TREATMENT WITH IGF1R INHIBITORS SCHERING CORPORATION (US) 2008-06-26 WO disclosed
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 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 (3 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-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 IGF1R 1/4885RAB9A 2423/4885KMT2A 576/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 IGF1R 2978/4885RAB9A 3679/4885KMT2A 2834/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 IGF1R 4709/4885RAB9A 3156/4885KMT2A 2332/4885

“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.