SCHEMBL6166172

SCHEMBL6166172

Cc1ccc(S(=O)(=O)NC(C)(C)C)c(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NSD2 O96028 2/20 0.37
MEP1B Q16820 1/20 0.37
PARG Q86W56 2/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 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
SCHEMBL2929280 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL27886350 0.80 L3MBTL1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2937380 0.80 CA1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL7600544 0.79 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL16261204 0.79 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL519774 0.77 NSD2 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL29442141 0.77 NSD2 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL9144322 0.77 LPL (0.40) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL28611921 0.77 L3MBTL1 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEP1B
SCHEMBL15726870 0.77 ALDH1A1 (0.47) ALDH1A1LMNAPOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI ALDH1A1 1388/4885LMNA 772/4885POLB 3482/4885

“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.