SCHEMBL5875799

SCHEMBL5875799

CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 3/20 0.54
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
PDE5A O76074 2/20 0.48

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
SCHEMBL16188276 0.91 TSHR (0.56) TSHRKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1231574 0.89 TSHR (0.57) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL456337 0.82 ALDH1A1 (0.44) TSHRALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3131935 0.81 TSHR (0.63) TSHRKDM4EALDH1A1LMNAHTT
SCHEMBL3124612 0.80 TSHR (0.62) TSHRKDM4EALDH1A1CA12CA9
SCHEMBL4264787 0.79 TSHR (0.60) TSHRKDM4EALDH1A1CA12CA9
SCHEMBL5826839 0.79 TSHR (0.60) TSHRKDM4EALDH1A1CA12CA9
SCHEMBL4551788 0.78 POLB (0.60) TSHRKDM4EALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL28282314 0.78 XDH (0.46) ALDH1A1LMNAHTTSMN1; SMN2PTGDR2
SCHEMBL5875796 0.77 MEN1 (0.60) TSHRKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005520-B2 Process for the preparation of pyrazolopyrimidinones PFIZER INC. (US) 2006-02-28 US disclosed
EP-1292586-B1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LTD (GB) 2004-08-04 EP disclosed
US-20040106796-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC 2004-06-03 US disclosed
US-6667398-B2 Reacting a benzamidine compound with a amide substituted pyrazole compound PFIZER INC 2003-12-23 US disclosed
EP-1292586-A1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 US disclosed
WO-2001098284-A1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 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 (2 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-20040106796-A1 Novel process for the preparation of pyrazolopyrimidinones CYP4F3, CYP3A4, NDUFS3 TSHR 1691/4885KDM4E 2782/4885ALDH1A1 812/4885
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones CYP4F3, CYP3A4, NDUFS3 TSHR 1691/4885KDM4E 2782/4885ALDH1A1 812/4885

“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.