SCHEMBL3587341

SCHEMBL3587341

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
PDE5A O76074 6/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 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
SCHEMBL6441707 1.00 KMT2A (1.00) KMT2APDE5AALDH1A1CYP2D6PKM
Hydrochloric Acid SCHEMBL6442412 0.99 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6PKM
Hydrochloric Acid SCHEMBL6386723 0.99 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6PKM
SCHEMBL6441696 0.99 KMT2A (0.98) KMT2APDE5AALDH1A1CYP2D6PKM
Hydrochloric Acid SCHEMBL7388188 0.96 KMT2A (0.92) KMT2APDE5AALDH1A1CYP2D6PKM
SCHEMBL7004598 0.94 KMT2A (0.88) KMT2APDE5AALDH1A1CYP2D6PKM
SCHEMBL6444417 0.91 KMT2A (0.83) KMT2APDE5AALDH1A1CYP2D6PKM
SCHEMBL6200528 0.91 KMT2A (0.83) KMT2APDE5AALDH1A1CYP2D6PKM
SCHEMBL13500479 0.89 KMT2A (0.81) KMT2APDE5AALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL6446632 0.89 KMT2A (0.80) KMT2APDE5AALDH1A1CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP claimed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP claimed
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
EP-1176142-A1 Process for the preparation of pyrazoles PFIZER INC. (US) 2002-01-30 EP 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
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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 (4 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-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.