SCHEMBL3029547

SCHEMBL3029547

CCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1C(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL6491181 0.87 ALDH1A1 (0.46) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29897705 0.87 ALDH1A1 (0.46) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6491185 0.87 ALDH1A1 (0.46) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6196650 0.80 POLB (0.58) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7745394 0.80 ALDH1A1 (0.53) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6490246 0.76 APEX1 (0.49) TSHRNPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29897709 0.76 APEX1 (0.49) TSHRNPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6490243 0.76 APEX1 (0.49) TSHRNPC1ALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6199453 0.76 LMNA (0.52) TSHRNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3017804 0.76 MEN1 (0.66) TSHRNPC1ALDH1A1HSD17B10SMN1; SMN2

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 TSHR 4688/4885NPC1 3198/4885ALDH1A1 681/4885
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 TSHR 4579/4885NPC1 3428/4885ALDH1A1 762/4885

“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.