SCHEMBL2402633

SCHEMBL2402633

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KMT2A Q03164 1/20 0.69
TSHR P16473 2/20 0.56
CYP2D6 P10635 1/20 0.53
LMNA P02545 2/20 0.50
PDE5A O76074 6/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL7388781 0.90 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6446698 0.90 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL3578634 0.89 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRLMNAPDE5A
SCHEMBL7388778 0.89 ALDH1A1 (0.61) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6447545 0.88 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6443522 0.87 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL6446145 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL5827170 0.83 KMT2A (0.67) ALDH1A1KMT2ATSHRCYP2D6PDE5A
SCHEMBL6446723 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRCYP2D6LMNA
SCHEMBL2408689 0.82 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRCYP2D6LMNA

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 64 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-20010044434-A1 Compositions and methods of treatment for conditions responsive to testosterone elevation LEE ANDREW G (US) 2001-11-22 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
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2001051042-A2 TREATMENT OF DIABETIC ULCERS PFIZER LIMITED (GB) 2001-07-19 WO 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
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 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 (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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B ALDH1A1 758/4885KMT2A 4553/4885TSHR 2771/4885
US-20010044434-A1 Compositions and methods of treatment for conditions responsive to testosterone elevation PDE3B, PDE3A, SHBG ALDH1A1 2502/4885KMT2A 4667/4885TSHR 281/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A ALDH1A1 848/4885KMT2A 3472/4885TSHR 2480/4885
US-20110212972-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A ALDH1A1 848/4885KMT2A 3472/4885TSHR 2480/4885

“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.