SCHEMBL6579197

SCHEMBL6579197

O=S(=O)(Cl)CCC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
SIGMAR1 Q99720 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32
METAP1 P53582 1/20 0.31
ACLY P53396 1/20 0.31
CEL P19835 2/20 0.31
EPHX1 P07099 1/20 0.31
CA2 P00918 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
SCHEMBL2151198 0.98 CYP1A2 (0.39) CYP1A2SIGMAR1ALDH1A1ATMHPGD
SCHEMBL17645782 0.95 CYP1A2 (0.31) CYP1A2ALDH1A1ATM
SCHEMBL17803560 0.90
SCHEMBL6958222 0.84 CYP1A2 (0.46) CYP1A2SIGMAR1HPGDCELEPHX1
SCHEMBL4312611 0.79
SCHEMBL6581204 0.75 SIGMAR1 (0.38) CYP1A2SIGMAR1ALDH1A1ATMMETAP1
SCHEMBL19488904 0.75 CYP1A2 (0.36) CYP1A2SIGMAR1ALDH1A1ATMHPGD
SCHEMBL3048106 0.75 CYP1A2 (0.36) CYP1A2SIGMAR1ALDH1A1ATMHPGD
SCHEMBL4072061 0.75 ALDH1A1 (0.37) CYP1A2SIGMAR1ALDH1A1ATMHPGD
SCHEMBL3048108 0.75 CYP1A2 (0.41) CYP1A2SIGMAR1ALDH1A1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191026-B1 New pyridazine endothelin antagonists PFIZER LTD (GB) 2004-05-19 EP disclosed
US-6670362-B2 Treatment of restenosis, acute or chronic renal failure, pulmonary hypertension, systemic hypertension, benign prostatic hyperplasia, male erectile dysfunction, prostate cancer, metastatic bone cancer, angina, atherosclerosis PFIZER INC. 2003-12-30 US disclosed
US-20020061889-A1 New pyridazine endothelin antagonists PFIZER INC. 2002-05-23 US disclosed
EP-1191026-A1 New pyridazine endothelin antagonists Pfizer Limited (GB) 2002-03-27 EP 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-20020061889-A1 New pyridazine endothelin antagonists EDNRB, EDNRA, ECE1 CYP1A2 604/4885SIGMAR1 765/4885ALDH1A1 2724/4885

“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.