SCHEMBL5632531

SCHEMBL5632531

Cc1ccc(S(=O)(=O)N2CCc3cc(Cl)ccc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.60
AKR1C1 Q04828 1/20 0.60
ESR2 Q92731 1/20 0.56
OPRK1 P41145 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PDE4B Q07343 1/20 0.53
PKM P14618 2/20 0.51
CD4 P01730 2/20 0.50
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL14751054 0.89 AKR1C3 (0.65) AKR1C3ESR2KMT2AMEN1PKM
SCHEMBL382362 0.89 HDAC1 (0.54) AKR1C3AKR1C1KMT2AMEN1PKM
SCHEMBL2590065 0.84 AKR1C3 (0.60) AKR1C3ESR2OPRK1KMT2AMEN1
SCHEMBL5632587 0.83 AKR1C3 (0.77) AKR1C3AKR1C1ESR2KMT2AMEN1
SCHEMBL17786045 0.82 AKR1C3 (0.58) AKR1C3AKR1C1ESR2OPRK1
SCHEMBL13302259 0.81 KMT2A (0.77) AKR1C3KMT2AMEN1PKM
SCHEMBL20389256 0.81 AKR1C3 (0.60) AKR1C3ESR2KMT2AMEN1PKM
SCHEMBL20046985 0.81 AKR1C3 (0.60) AKR1C3AKR1C1ESR2KMT2AMEN1
SCHEMBL17786050 0.81 AKR1C3 (0.73) AKR1C3AKR1C1ESR2OPRK1
SCHEMBL26211248 0.81 PKM (0.52) AKR1C3ESR2KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 US disclosed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 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-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents F2, SERPINC1, F11 AKR1C3 582/4885AKR1C1 522/4885ESR2 1661/4885

“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.