SCHEMBL958438

SCHEMBL958438

CS(=O)(=O)NCc1ccc2c(C(=O)Nc3ccc(-c4nnn[nH]4)cc3)nn(Cc3ccc(OC(F)F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.53
CPT1B Q92523 4/20 0.53
CPT2 P23786 1/20 0.47
KMT2A Q03164 3/20 0.38
AGTR1 P30556 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 8/20 0.36
GSK3B P49841 6/20 0.36
ROCK1 Q13464 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
LMNA P02545 1/20 0.34
PTGER4 P35408 1/20 0.33
RORC P51449 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
SCHEMBL957856 0.83 CPT1A (0.75) CPT1ACPT1BCPT2KMT2AAGTR1
SCHEMBL958457 0.80 CPT1A (0.47) CPT1ACPT1BCPT2KMT2ASMN1; SMN2
SCHEMBL957884 0.78 CPT1A (0.55) CPT1ACPT1BCPT2USP2PTGER4
SCHEMBL959272 0.77 CPT1A (0.41) CPT1ACPT1BCPT2PTGER4RORC
SCHEMBL958064 0.76 CPT1A (0.75) CPT1ACPT1BCPT2PTGER4
SCHEMBL960086 0.69 CPT1A (0.70) CPT1ACPT1BCPT2KMT2AAGTR1
SCHEMBL958455 0.66 CPT1A (0.44) CPT1ACPT1BCPT2SMN1; SMN2PTGER4
SCHEMBL957678 0.65 CPT1A (0.51) CPT1ACPT1BKMT2AMEN1RAB9A
SCHEMBL28803661 0.64 XDH (0.66) KMT2AMEN1RAB9AUSP2SMN1; SMN2
SCHEMBL961810 0.63 PTGER4 (0.61) CPT1ACPT1BKMT2AMEN1PTGER4

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-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US claimed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 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 (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-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885CPT2 4/4885

“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.