SCHEMBL6579252

SCHEMBL6579252

O=S(=O)(O)CCc1ccc(F)cc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
FFAR1 O14842 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
HTR2C P28335 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CA9 Q16790 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAOB P27338 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL778326 0.98 TAAR1 (0.46) TAAR1HTR2AKCNH2FFAR1CA12
Methane SCHEMBL7260125 0.96 TAAR1 (0.45) TAAR1HTR2AKCNH2FFAR1CA12
SCHEMBL3136280 0.86 MGLL (0.44) TAAR1HTR2AKCNH2FFAR1
SCHEMBL3139486 0.84 MGLL (0.51) TAAR1FFAR1CA2
SCHEMBL2441516 0.80 TAAR1 (0.50) TAAR1HTR2AKCNH2CA12CA1
SCHEMBL4704224 0.79 TAAR1 (0.45) TAAR1CA12CA1CA2CA4
SCHEMBL2377547 0.79 TAAR1 (0.45) TAAR1HTR2ACA12CA1CA2
SCHEMBL28822705 0.78 CA2 (0.52) FFAR1CA12CA1CA2CA9
SCHEMBL27711383 0.78 CA2 (0.52) FFAR1CA12CA1CA2CA9
SCHEMBL8145771 0.78 ESR1 (0.56) TAAR1CA1CA2HTR2CPTGS1

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 TAAR1 61/4885HTR2A 65/4885KCNH2 641/4885

“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.