SCHEMBL2408689

SCHEMBL2408689

CCN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
LMNA P02545 1/20 0.74
GAA P10253 2/20 0.69
MAPT P10636 1/20 0.69
HTT P42858 3/20 0.67
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.55
KMT2A Q03164 2/20 0.53
JAK2 O60674 1/20 0.49
PKM P14618 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3581112 0.85 ALDH1A1 (1.00) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL1427160 0.83 ALDH1A1 (0.91) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL17492876 0.83 ALDH1A1 (0.97) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL2402633 0.82 ALDH1A1 (0.70) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL5875707 0.81 KMT2A (0.71) ALDH1A1LMNAGAAMAPTCYP2D6
SCHEMBL20524688 0.80 ALDH1A1 (0.74) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL30323164 0.80 ALDH1A1 (0.74) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL6442148 0.79 ALDH1A1 (0.65) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL6447545 0.78 ALDH1A1 (0.64) ALDH1A1LMNACYP2D6TSHRKMT2A
SCHEMBL7031269 0.78 ALDH1A1 (0.64) ALDH1A1LMNAGAAMAPTHTT

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 69 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-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
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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
EP-1149579-A2 Use of an estrogen agonist/antagonist for treating female sexual dysfunction Pfizer Products Inc. (US) 2001-10-31 EP disclosed
EP-1129706-A2 Use of cGMP PDE5 inhibitors for the treatment of neuropathy Pfizer Limited (GB) 2001-09-05 EP disclosed
EP-1125582-A2 Use of estrogen agonists / antagonists for the treatment of sexual dysfunction Pfizer Products Inc. (US) 2001-08-22 EP disclosed
WO-2001051042-A2 TREATMENT OF DIABETIC ULCERS PFIZER LIMITED (GB) 2001-07-19 WO disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-1092718-A1 2-(2-Alkoxy-5-heterocyclylsulphonylphenyl)purin-6-ones as phosphodiesterase inhibitors 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 ALDH1A1 254/4885LMNA 3708/4885GAA 3394/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B ALDH1A1 758/4885LMNA 1380/4885GAA 1719/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A ALDH1A1 848/4885LMNA 3613/4885GAA 882/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A ALDH1A1 848/4885LMNA 3613/4885GAA 882/4885

“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.