SCHEMBL6301308

SCHEMBL6301308

O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCNCC1CO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
F10 P00742 9/20 0.40
HTR6 P50406 2/20 0.39
ADAM17 P78536 1/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL1618700 0.88 PKM (0.60) PKMALOX5APFEN1HTR6
SCHEMBL14538037 0.78 ALDH1A1 (0.46) PKMMMP1MMP9MMP13MMP3
SCHEMBL16430559 0.77 ALOX5AP (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2266915 0.77 PKM (0.73) PKMF10
Hydrochloric Acid SCHEMBL5733824 0.76 PKM (0.71) PKMF10
SCHEMBL14325344 0.76 HSD11B1 (0.46) MMP1MMP9MMP13MMP3MMP7
SCHEMBL734974 0.75 HSD11B1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6184463 0.74 PKM (0.54) PKMCA1CA2CA4CA9
SCHEMBL1661410 0.74 PKM (0.53) PKMHTR6
SCHEMBL15915927 0.73 ALOX5AP (0.52) ALOX5APFEN1HTR6CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US disclosed
EP-0937048-B1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ASTRAZENECA AB (SE) 2004-01-21 EP disclosed
EP-1358909-A1 Heteroaryl-phenyl derivatives as factor xa inhibitors for use as antithrombotic and anticoagulant agents AstraZeneca AB (SE) 2003-11-05 EP disclosed
US-20030195203-A1 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2003-10-16 US disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 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-20030195203-A1 Heterocyclic derivatives F12, F11, F2 PKM 3921/4885MMP1 2789/4885MMP9 3975/4885

“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.