SCHEMBL3576451

SCHEMBL3576451

CCOC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.80
PDE5A O76074 5/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 1/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 1/20 0.46
CYP2C9 P11712 1/20 0.45
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7004598 0.96 KMT2A (0.88) KMT2APDE5AALDH1A1CYP2D6GAA
SCHEMBL6444862 0.91 KMT2A (0.66) KMT2APDE5AALDH1A1CYP2D6
SCHEMBL6442764 0.91 KMT2A (0.66) KMT2APDE5AALDH1A1CYP2D6GAA
SCHEMBL6443105 0.90 KMT2A (0.64) KMT2APDE5AALDH1A1GAAHPGD
SCHEMBL6444293 0.90 KMT2A (0.65) KMT2APDE5AALDH1A1CYP2D6GAA
SCHEMBL3587341 0.89 KMT2A (1.00) KMT2APDE5AALDH1A1CYP2D6GAA
SCHEMBL6441707 0.89 KMT2A (1.00) KMT2APDE5AALDH1A1CYP2D6GAA
Hydrochloric Acid SCHEMBL6386723 0.88 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6GAA
SCHEMBL6441696 0.88 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6GAA
Hydrochloric Acid SCHEMBL6442412 0.88 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6GAA

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC 2011-09-01 US disclosed
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC 2011-09-01 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC. 2009-10-22 US disclosed
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC. 2009-10-22 US disclosed
EP-1440709-B1 Combinations comprising cGMP PDE5 inhibitors. PFIZER LTD (GB) 2007-12-05 EP disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-20020040140-A1 For therapy of male erectile dysfunction PFIZER INC. 2002-04-04 US disclosed
US-6350751-B1 ANHYDROUS PARA-TOLUENESULPHONIC ACID SALTS OF 3-ETHYL-5-(5-(4-ETHYL PIPERAZIN-1-YLSULPHONYL)-2-(2-METHOXYETHOXY) PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)METHYL-2,6-DIHYDRO-7H-PYRAZOLO PFIZER INC. 2002-02-26 US disclosed
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 US disclosed
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 US disclosed
WO-2001098303-A1 NOVEL PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 WO disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
WO-2001027101-A2 ANHYDROUS SALT PFIZER LIMITED (GB) 2001-04-19 WO disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 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 (7 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B KMT2A 4533/4885PDE5A 1/4885ALDH1A1 254/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B KMT2A 4553/4885PDE5A 1/4885ALDH1A1 758/4885
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones SDHA, NDUFS3, NDUFS2 KMT2A 3944/4885PDE5A 1679/4885ALDH1A1 163/4885
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones CYP4F3, CYP3A4, NDUFS3 KMT2A 3952/4885PDE5A 895/4885ALDH1A1 812/4885
US-20020040140-A1 For therapy of male erectile dysfunction PDE3A, PDE5A, PDE3B KMT2A 4100/4885PDE5A 2/4885ALDH1A1 1787/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A KMT2A 3472/4885PDE5A 4/4885ALDH1A1 848/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A KMT2A 3472/4885PDE5A 4/4885ALDH1A1 848/4885

“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.