SCHEMBL6581204

SCHEMBL6581204

NS(=O)(=O)CCC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
CA2 P00918 6/20 0.37
CYP1A2 P05177 1/20 0.36
METAP1 P53582 1/20 0.35
CA1 P00915 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL3174887 0.98 SIGMAR1 (0.41) SIGMAR1CA2CYP1A2METAP1CA1
SCHEMBL5783976 0.95 CA2 (0.33) SIGMAR1CA2CYP1A2METAP1CA1
SCHEMBL3179685 0.90
Hydrochloric Acid SCHEMBL4566682 0.87 CA1 (0.38) CA2CA1CA7CA9
SCHEMBL1837189 0.81 SIGMAR1 (0.55) SIGMAR1CA2CYP1A2MEN1KMT2A
SCHEMBL230908 0.79 CHRM1 (0.38)
Hydrochloric Acid SCHEMBL20775305 0.78 CHRM1 (0.37)
SCHEMBL1967250 0.78 APLNR (0.48) KMT2AATM
SCHEMBL12593558 0.76 NCF1 (0.48) CA2CA1ALDH1A1CA7CA9
SCHEMBL4072061 0.75 ALDH1A1 (0.37) SIGMAR1CYP1A2METAP1ALDH1A1ATM

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
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN disclosed
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 SIGMAR1 765/4885CA2 3254/4885CYP1A2 604/4885

“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.