SCHEMBL6207027

SCHEMBL6207027

CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.75
POLB P06746 3/20 0.65
HSD17B10 Q99714 3/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
ATM Q13315 1/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL4718657 0.86 CYP3A4 (1.00) CYP3A4HSD17B10GAAMAPTTSHR
SCHEMBL11178443 0.86 CYP3A4 (1.00) CYP3A4HSD17B10GAAMAPTTSHR
SCHEMBL17479644 0.85 TSHR (0.74) CYP3A4POLBHSD17B10HPGDTSHR
SCHEMBL1647757 0.84 POLB (0.88) CYP3A4POLBHSD17B10HPGDGAA
SCHEMBL396705 0.84 KMT2A (0.77) POLBHSD17B10HPGDGAAMAPT
SCHEMBL11178290 0.84 CYP3A4 (0.71) CYP3A4HSD17B10HPGDGAATSHR
SCHEMBL11184367 0.83 CYP3A4 (0.75) CYP3A4HSD17B10GAATSHRALDH1A1
SCHEMBL11184849 0.83 CYP3A4 (0.75) CYP3A4HSD17B10HPGDTSHRKMT2A
SCHEMBL395198 0.83 KMT2A (0.75) POLBHSD17B10HPGDGAAMAPT
SCHEMBL28655730 0.83 POLB (0.65) CYP3A4POLBHSD17B10HPGDGAA

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
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2003-04-10 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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 (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-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B CYP3A4 32/4885POLB 66/4885HSD17B10 2123/4885
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B CYP3A4 32/4885POLB 66/4885HSD17B10 2123/4885

“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.