SCHEMBL3017804

SCHEMBL3017804

CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
LMNA P02545 5/20 0.54
HTT P42858 3/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
NPC1 O15118 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.49
TNF P01375 1/20 0.49

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
SCHEMBL3030049 0.86 LMNA (0.69) KMT2ALMNAHTTGAAMAPT
SCHEMBL7745394 0.80 ALDH1A1 (0.53) KMT2ALMNAHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6196650 0.80 POLB (0.58) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL12612889 0.78 APEX1 (0.57) MEN1KMT2ALMNAHTTGAA
Hydrochloric Acid SCHEMBL6199453 0.76 LMNA (0.52) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL6491185 0.76 ALDH1A1 (0.46) MEN1KMT2ALMNAHTTGAA
SCHEMBL29897705 0.76 ALDH1A1 (0.46) MEN1KMT2ALMNAHTTGAA
SCHEMBL6491181 0.76 ALDH1A1 (0.46) MEN1KMT2ALMNAHTTGAA
SCHEMBL3029547 0.76 TSHR (0.56) KMT2ALMNAHTTMAPTALDH1A1
SCHEMBL30823661 0.75 APEX1 (0.51) MEN1KMT2ALMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461165-B2 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD (CN) 2013-06-11 US disclosed
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-08-12 US disclosed
US-7745433-B2 2-Substituted phenyl-5, 7-dihydrocarbyl-3, 7-dihydropyrrolo [2, 3-D] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof Yangtze River Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US disclosed
US-7741483-B2 Process for making substituted pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of phosphodiesterase 5 YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-06-22 US disclosed
US-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof TIANJIN TASLY GROUP CO., LTD (CN) 2008-07-10 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-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3B, PDE2A MEN1 3203/4885KMT2A 4447/4885LMNA 2581/4885
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3A, PDE2A MEN1 2988/4885KMT2A 4221/4885LMNA 2500/4885

“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.