SCHEMBL5228051

SCHEMBL5228051

CC(C)(C)c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.51
F10 P00742 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
RXFP2 Q8WXD0 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5223109 0.92 RAB9A (0.70) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL5224127 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9695899 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5226932 0.82 NR1H4 (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7246263 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5225715 0.80 F10 (0.76) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6169846 0.80 ESR1 (0.55) F10
SCHEMBL7243929 0.79 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1687778 0.78 RAB9A (0.72) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL7293767 0.78 RAB9A (0.72) RAB9ANPC1SMN1; SMN2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 RAB9A 2658/4885NPC1 1618/4885SMN1; SMN2 2752/4885

“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.