SCHEMBL5285086

SCHEMBL5285086

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 1/20 0.46
FNTA P49354 7/20 0.46
FNTB P49356 7/20 0.46
PGGT1B P53609 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.45
CNR1 P21554 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 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
SCHEMBL7513048 1.00 MAPK1 (0.48) MAPK1CYP11B1CYP11B2NPC1FNTA
SCHEMBL5298259 0.93 FNTA (0.51) MAPK1CYP11B1CYP11B2FNTAFNTB
SCHEMBL8434426 0.93 FNTA (0.51) MAPK1CYP11B1CYP11B2FNTAFNTB
SCHEMBL8436859 0.91 FNTA (0.55) MAPK1CYP11B1CYP11B2NPC1FNTA
SCHEMBL6003187 0.91 FNTA (0.55) MAPK1CYP11B1CYP11B2NPC1FNTA
SCHEMBL8534851 0.88 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097870 0.88 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098295 0.87 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8442897 0.87 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8104389 0.85 ALDH1A1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP claimed
JP-2001518281-A 2001-10-16 JP claimed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
EP-1866285-A1 1-SULFONYL-PIPERDINE-3-CARBOXYLIC ACID AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE FOR THE TREATMENT OF TYPE II DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2007-12-19 EP disclosed
WO-2006094633-A1 1- SULFONYL-PI PERDINE- 3 -CARBOXYL I C ACID AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE FOR THE TREATMENT OF TYPE II DIABETES MELLITUS F. HOFFMAN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 US disclosed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 US disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 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 (1 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 MAPK1 2294/4885CYP11B1 270/4885CYP11B2 178/4885

“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.