SCHEMBL962859

SCHEMBL962859

COc1ccc(S(=O)(=O)NC(=O)C=Cc2c(C)nn(C)c2-n2ccc3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PTGER3 P43115 4/20 0.42
CCR9 P51686 1/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL962857 1.00 FLT1 (0.43) FLT1FLT4KDRHDAC1HDAC6
SCHEMBL962598 0.93 PTGER3 (0.41) FLT1FLT4KDRPTGER3EGFR
SCHEMBL962596 0.93 PTGER3 (0.41) FLT1FLT4KDRPTGER3EGFR
SCHEMBL963423 0.92 FLT1 (0.41) FLT1FLT4KDRHDAC1HDAC6
SCHEMBL963421 0.92 FLT1 (0.41) FLT1FLT4KDRHDAC1HDAC6
SCHEMBL965317 0.90 PTGER3 (0.40) FLT1FLT4KDRHDAC1HDAC6
SCHEMBL965316 0.90 PTGER3 (0.40) FLT1FLT4KDRHDAC1HDAC6
SCHEMBL965340 0.88 FLT1 (0.40) FLT1FLT4KDRPTGER3CCR9
SCHEMBL965338 0.88 FLT1 (0.40) FLT1FLT4KDRPTGER3CCR9
SCHEMBL964365 0.87 PTGER3 (0.44) FLT1FLT4KDRPTGER3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 FLT1 1862/4885FLT4 2164/4885KDR 3801/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG FLT1 1015/4885FLT4 915/4885KDR 1417/4885

“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.