SCHEMBL6330574

SCHEMBL6330574

CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
TSHR P16473 1/20 0.58
S1PR3 Q99500 1/20 0.56
APEX1 P27695 1/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48

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
SCHEMBL6646760 0.91 KMT2A (0.67) KMT2ATSHRAPEX1PKMNPC1
SCHEMBL6644972 0.90 S1PR3 (0.53) KMT2ATSHRS1PR3APEX1MAPT
SCHEMBL30823673 0.88 S1PR3 (0.54) KMT2ATSHRS1PR3APEX1MAPT
SCHEMBL20568042 0.88 S1PR3 (0.54) KMT2ATSHRS1PR3APEX1MAPT
SCHEMBL6647212 0.87 S1PR3 (0.53) KMT2ATSHRS1PR3APEX1MAPT
SCHEMBL7427480 0.86 MAPT (0.66) S1PR3APEX1PKMMAPTHSD17B10
SCHEMBL6196273 0.83 KMT2A (0.56) KMT2ATSHRS1PR3APEX1MAPT
SCHEMBL20568064 0.83 APEX1 (0.56) KMT2ATSHRS1PR3APEX1NPC1
SCHEMBL30823654 0.83 APEX1 (0.56) KMT2ATSHRS1PR3APEX1NPC1
SCHEMBL31347917 0.81 TSHR (0.57) TSHRMAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed
US-6642244-B2 Sexual disorder therapy; cardiovascular disorders; antidiabetic agents; gastrointestinal disorders BRISTOL-MYERS SQUIBB CO. 2003-11-04 US disclosed
US-20020133008-A1 Pyrazolopyridopyrimidine inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-09-19 US 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B KMT2A 4191/4885TSHR 2600/4885S1PR3 893/4885
US-20020133008-A1 Pyrazolopyridopyrimidine inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A KMT2A 4447/4885TSHR 3557/4885S1PR3 1748/4885

“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.