SCHEMBL16246404

SCHEMBL16246404

NC(=O)c1cc(S(=O)(=O)N2CCOCC2)sc1NC(=O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ ALDH1A1 P00352 9/20 0.55
▸ HPGD P15428 5/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HTT P42858 2/20 0.52
▸ CFTR P13569 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 2/20 0.48
▸ TP53 P04637 1/20 0.46

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
SCHEMBL16246270 0.83 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL16246474 0.82 MAPT (0.59) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16263914 0.82 MAPT (0.54) TSHRALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16338427 0.82 CFTR (0.56) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16246521 0.81 KMT2A (0.57) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16338254 0.81 CFTR (0.53) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16263804 0.81 CFTR (0.58) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16263911 0.81 KMT2A (0.53) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL16387384 0.81 KMT2A (0.53) TSHRALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL16338165 0.80 MAPT (0.54) TSHRALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US claimed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US claimed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
US-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 — — EP disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 — — US disclosed
EP-2994463-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS Galapagos NV (BE) 2016-03-16 — — EP disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 — — US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 — — US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 — — US disclosed
WO-2014180562-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2014-11-13 — — 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 (3 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-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC3, ABCC5 TSHR 3056/4885ALDH1A1 1522/4885HPGD 1858/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 TSHR 2377/4885ALDH1A1 2557/4885HPGD 3537/4885
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. CFTR, ABCC3, ABCC5 TSHR 2683/4885ALDH1A1 1464/4885HPGD 1909/4885

“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.

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