SCHEMBL6424043

SCHEMBL6424043

O=S(=O)(c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
PPARD Q03181 2/20 0.50
USP2 O75604 1/20 0.49
HTR6 P50406 8/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.45
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
ACLY P53396 2/20 0.42
CHRM1 P11229 1/20 0.41

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
SCHEMBL6423201 0.91 MAPT (0.52) MAPTUSP2HTR6KDM4EALDH1A1
SCHEMBL6733146 0.82 PPARG (0.45) PPARGPPARAPPARDHTR6KDM4E
SCHEMBL6730735 0.81 PPARG (0.47) PPARGPPARAPPARDHTR6KDM4E
SCHEMBL6730739 0.81 PPARG (0.47) PPARGPPARAPPARDHTR6KDM4E
SCHEMBL6737167 0.81 LSS (0.54) PPARGPPARAPPARDUSP2HTR6
SCHEMBL6774913 0.80 PPARG (0.58) PPARGPPARAPPARDACLY
SCHEMBL739191 0.80 PPARG (0.58) PPARGPPARAPPARDACLY
SCHEMBL6725421 0.80 PPARG (0.43) PPARGPPARAPPARDHTR6KDM4E
SCHEMBL6733988 0.79 PPARG (0.44) PPARGPPARAPPARDHTR6ALDH1A1
Hydrochloric Acid SCHEMBL5736061 0.78 USP2 (0.53) MAPTUSP2HTR6ALDH1A1PKM

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-1528061-A1 Heterocyclic derivatives which inhibit factor Xa AstraZeneca AB (SE) 2005-05-04 EP disclosed
US-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa ASTRAZENECA AB 2004-12-30 US disclosed
EP-1082321-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6753331-B1 INDOL-2-YLSULPHONYL-4-(4-(HETEROCYCLE)BENZOYL)PIPERAZINE DERIVATIVES AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-06-22 US disclosed
EP-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 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-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa F12, TFPI, F2 MAPT 4850/4885PPARG 2660/4885PPARA 2898/4885

“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.