SCHEMBL4464534

SCHEMBL4464534

COc1c(-c2ccc(C(=O)O)cc2)ccc(CCC(=O)N(C)CCN(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.35
FFAR4 Q5NUL3 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C8 P10632 1/20 0.33
FOLH1 Q04609 1/20 0.33
EGFR P00533 1/20 0.33
LTB4R Q15722 4/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
RXRA P19793 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL2952155 0.77 CDK8 (0.50) EGFRLTB4RLTB4R2
SCHEMBL4464529 0.69 CDK8 (0.48) ATMLTB4RLTB4R2
SCHEMBL2943838 0.65 CYP1A2 (0.50) KDM4EEGFRKMT2A
SCHEMBL4603322 0.65 CA1 (0.49) CYP2C8EGFRRXRAKMT2A
SCHEMBL30719082 0.64 CYP2C8 (0.52) SRD5A2CYP2C8FOLH1EGFRRXRA
SCHEMBL29788180 0.64 CA1 (0.51) CYP2C8EGFRRXRAKMT2A
SCHEMBL2044179 0.64 CA1 (0.51) CYP2C8EGFRRXRAKMT2A
SCHEMBL29152929 0.64 CYP2C8 (0.52) SRD5A2CYP2C8FOLH1EGFRRXRA
SCHEMBL2949356 0.64 ADRB1 (0.51) SRD5A2FOLH1EGFRLTB4RRXRA
SCHEMBL930476 0.62 CYP2C8 (0.42) SRD5A2KDM4ECYP2C8FOLH1EGFR

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-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 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-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 SRD5A2 2301/4885FFAR4 3401/4885KDM4E 1911/4885

“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.