SCHEMBL4482171

SCHEMBL4482171

C=Cc1ccc(O[SiH](c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.34
TRPA1 O75762 1/20 0.33
HPGD P15428 4/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5652202 0.88 TRPA1 (0.36) ALDH1A1TSHRTRPA1TP53TDP1
SCHEMBL12516172 0.72 RAB9A (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4640924 0.71 TRPA1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5696610 0.69 HTR1D (0.38) SMN1; SMN2ALDH1A1TSHRTP53TDP1
SCHEMBL7133957 0.69 TP53 (0.33) ALDH1A1MAPTTP53TDP1
SCHEMBL16959803 0.68 HTT (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1088564 0.68 JUN (0.44) RAB9ASMN1; SMN2NFKB1ALDH1A1TSHR
SCHEMBL4868013 0.67 NPC1 (0.33) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10509929 0.67 GAA (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16957726 0.67 MAPT (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517879-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2009-04-14 US disclosed
US-7326785-B2 Pyrrolidine derivatives as factor XA inhibitors GLAXO GROUP LIMITED (GB) 2008-02-05 US disclosed
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-7186717-B2 Pyrrolidine derivatives as Factor Xa inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-06 US disclosed
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1395553-B1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2005-02-16 EP disclosed
EP-1395553-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100830-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-12-19 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 (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-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 NPC1 3459/4885RAB9A 2038/4885SMN1; SMN2 3135/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 NPC1 3459/4885RAB9A 2038/4885SMN1; SMN2 3135/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 NPC1 3459/4885RAB9A 2038/4885SMN1; SMN2 3135/4885

“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.