SCHEMBL16445441

SCHEMBL16445441

CC1(C)Cc2c(sc(NC(=O)c3ccccc3F)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 19/20 0.80
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57

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
SCHEMBL16445857 0.89 CFTR (1.00) CFTR
SCHEMBL16450571 0.89 CFTR (0.81) CFTR
SCHEMBL16445279 0.88 CFTR (0.77) CFTR
SCHEMBL16445297 0.88 CFTR (0.68) CFTR
SCHEMBL16445640 0.87 CFTR (0.75) CFTR
SCHEMBL16445485 0.86 CFTR (0.71) CFTR
SCHEMBL16445267 0.85 CFTR (0.73) CFTR
SCHEMBL16445696 0.84 CFTR (0.74) CFTR
SCHEMBL16450572 0.84 CFTR (0.68) CFTR
SCHEMBL16444881 0.84 CFTR (1.00) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2020-02-25 — — US claimed
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 — — US claimed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 — — EP claimed
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 — — US claimed
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-02-21 — — US claimed
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 — — EP claimed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 — — US claimed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 — — US claimed
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis GILEAD SCIENCES, INC. 2016-11-03 — — US claimed
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 — — EP claimed
US-9351955-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-05-31 — — US claimed
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2016-01-28 — — US claimed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 — — US claimed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO claimed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 — — US claimed
US-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL ENTPR LTD (BM) 2024-02-08 — — US disclosed
US-20220281857-A1 Prodrug Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL ENTPR LTD (BM) 2022-09-08 — — US disclosed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO disclosed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO disclosed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 — — 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 (11 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-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis CFTR, ABCB11, PKD1 CFTR 1/4885NPC1 34/4885RAB9A 1109/4885
US-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SLC47A2 CFTR 1/4885NPC1 220/4885RAB9A 1347/4885
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885NPC1 39/4885RAB9A 807/4885
US-20220281857-A1 Prodrug Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A2, SLC47A1 CFTR 1/4885NPC1 305/4885RAB9A 1936/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 CFTR 1/4885NPC1 1230/4885RAB9A 1911/4885
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use CFTR, P2RX2, P2RX1 CFTR 1/4885NPC1 593/4885RAB9A 1448/4885
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885NPC1 39/4885RAB9A 807/4885
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885NPC1 39/4885RAB9A 807/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 CFTR 1/4885NPC1 1230/4885RAB9A 1911/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 CFTR 1/4885NPC1 1230/4885RAB9A 1911/4885
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885NPC1 39/4885RAB9A 807/4885

“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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