SCHEMBL3967013

SCHEMBL3967013

Cc1ccc(S(=O)(=O)OCCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
S1PR4 O95977 2/20 0.44
ACHE P22303 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL26120176 0.86 ALDH1A1 (0.45) KMT2AALDH1A1CA12CA1CA9
SCHEMBL8209789 0.83 TP53 (0.51) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL948326 0.80 CNR2 (0.56) CYP2D6CYP2C19ACHEKMT2AALDH1A1
SCHEMBL2953341 0.79 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2C19S1PR4ACHE
SCHEMBL8649142 0.79 PDE10A (0.41) KMT2AALDH1A1MAPTCA12CA1
SCHEMBL16094128 0.78 CA1 (0.41) ACHEKMT2AALDH1A1CA12CA1
SCHEMBL8206287 0.78 LMNA (0.46) ACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL17630126 0.75 PSEN1 (0.41) CYP1A2CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL14785222 0.75 HTR2A (0.46) CA12CA1CA9
SCHEMBL11272133 0.75 TP53 (0.49) KMT2AALDH1A1MAPTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 CYP1A2 203/4885CYP3A4 764/4885CYP2D6 378/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CYP1A2 215/4885CYP3A4 862/4885CYP2D6 257/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CYP1A2 213/4885CYP3A4 750/4885CYP2D6 477/4885

“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.