SCHEMBL4291886

SCHEMBL4291886

C=Cc1c(OC)cc(OC)cc1OC.COc1ccc(C=S(=O)=O)cc1NC(C)(C)C(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.36
LMNA P02545 1/20 0.35
MET P08581 1/20 0.35
NQO2 P16083 1/20 0.35
FECH P22830 1/20 0.35
CLK3 P49761 1/20 0.35
PLK1 P53350 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PTGS1 P23219 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4295871 0.99 PTGS2 (0.37) PTGS2LMNAMETNQO2FECH
SCHEMBL2840173 0.83 PLK1 (0.52) PTGS2LMNAMETNQO2FECH
SCHEMBL6248594 0.82 APP (0.46) PTGS2LMNAMETNQO2FECH
SCHEMBL4295651 0.81 PTGS2 (0.37) PTGS2LMNAMETNQO2FECH
SCHEMBL827525 0.78 KMT2A (0.37) PTGS2LMNAABCG2NPSR1MEN1
SCHEMBL6260996 0.78 KMT2A (0.37) PTGS2LMNAABCG2NPSR1MEN1
SCHEMBL499030 0.77 ALOX5 (0.51) NQO2CYP1A1CYP1B1ERN1KDM4E
SCHEMBL1636058 0.76 CYP1A1 (0.41) PTGS2LMNANQO2CYP1A1CYP1B1
SCHEMBL1635863 0.74 PTGS2 (0.37) PTGS2LMNACYP1A1CYP1B1PTGS1
SCHEMBL1634113 0.73 LMNA (0.44) PTGS2LMNACYP1A1CYP1B1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-12-10 US disclosed
EP-1841420-A2 TREATMENT OF DRUG-RESISTANT PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-10-10 EP disclosed
WO-2006074149-A2 TREATMENT OF DRUG-RESISTANT PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-13 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-20090306207-A1 Treatment of Drug-Resistant Proliferative Disorders ARSA, KSR1, RPS6KA1 PTGS2 1148/4885LMNA 1217/4885MET 2961/4885

“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.