SCHEMBL6298944

SCHEMBL6298944

O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCNC(CO)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.52
PKM P14618 1/20 0.48
F10 P00742 11/20 0.44
PNMT P11086 1/20 0.43
AKR1C3 P42330 4/20 0.42
AKR1C1 Q04828 1/20 0.42
GLA P06280 1/20 0.41
CXCR4 P61073 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
SCHEMBL6791798 0.88 PKM (0.64) TDO2PKMAKR1C3AKR1C1CXCR4
SCHEMBL7436813 0.81 AKR1C3 (0.50) PKMF10AKR1C3AKR1C1
SCHEMBL2266915 0.80 PKM (0.73) PKMF10GLA
Hydrochloric Acid SCHEMBL5733824 0.79 PKM (0.71) PKMF10GLA
SCHEMBL6789523 0.78 KMT2A (0.48) PKM
SCHEMBL25059352 0.77 TDO2 (0.56) TDO2CXCR4
SCHEMBL5633406 0.73 PKM (0.62) PKMF10GLA
Hydrochloric Acid SCHEMBL6734214 0.73 F10 (0.48) PKMF10AKR1C3AKR1C1CXCR4
SCHEMBL6301308 0.72 PKM (0.45) PKMF10
Hydrochloric Acid SCHEMBL5633273 0.72 PKM (0.60) PKMF10GLA

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 TDO2 1975/4885PKM 3921/4885F10 5/4885

“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.