SCHEMBL4464529

SCHEMBL4464529

COc1cc(CCC(=O)N(C)CCN(C)C)ccc1-c1ccc(C(=O)O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
RARB P10826 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
LTB4R Q15722 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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 0.87 CDK8 (0.50) CDK8CLK4NPC1RAB9AL3MBTL1
SCHEMBL2943712 0.80 CDK8 (0.49) CDK8CLK4NPC1RAB9AL3MBTL1
SCHEMBL2949356 0.74 ADRB1 (0.51) CDK8CLK4L3MBTL1APPLTB4R
SCHEMBL2943838 0.73 CYP1A2 (0.50) BCHEACHEALDH1A1CYP3A4ROCK2
SCHEMBL2772224 0.70 KDM4E (0.57) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL4464534 0.69 SRD5A2 (0.35) LTB4RLTB4R2ATM
SCHEMBL2773780 0.69 AKR1C3 (0.62) RAB9ALTB4RALDH1A1TSHRCA12
SCHEMBL9426326 0.68 CDK8 (0.68) CDK8CLK4NPC1RAB9AL3MBTL1
SCHEMBL6715887 0.68 KDM4E (0.57) RAB9AALDH1A1TSHRCA12CA1
SCHEMBL2773191 0.68 CA1 (0.74) RAB9APKMALDH1A1TSHRCYP3A4

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 CDK8 2245/4885CLK4 4603/4885NPC1 2540/4885

“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.