SCHEMBL16246541

SCHEMBL16246541

CC(C)(C)c1ccc(C(=O)Nc2sc(S(=O)(=O)N3CCCCC3)cc2C(N)=O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.60
▸ KMT2A Q03164 8/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ YEATS4 O95619 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL16338520 0.90 CFTR (0.49) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16246565 0.87 CFTR (0.63) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16246388 0.85 CFTR (0.63) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16338662 0.84 CFTR (0.65) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16261381 0.81 CFTR (0.60) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16246344 0.80 CFTR (0.60) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL19772491 0.80 CFTR (0.67) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16246506 0.79 CFTR (0.59) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16338289 0.79 CFTR (0.59) CFTRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL16338396 0.78 CFTR (0.58) CFTRKMT2AMEN1ALDH1A1RAB9A

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 19 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-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-9394256-B2 Benzhydrol-pyrazole derivatives having kinase inhibitory activity and uses thereof X-CHEM, INC. (US) 2016-07-19 — — 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
US-20150005345-A1 BENZHYDROL-PYRAZOLE DERIVATIVES HAVING KINASE INHIBITORY ACTIVITY AND USES THEREOF PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 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 CFTR 1/4885KMT2A 3948/4885MEN1 3603/4885
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. CFTR, ABCC3, ABCC5 CFTR 1/4885KMT2A 3954/4885MEN1 3625/4885
US-20150005345-A1 BENZHYDROL-PYRAZOLE DERIVATIVES HAVING KINASE INHIBITORY ACTIVITY AND USES THEREOF MAP3K1, PRKACA, MAP3K5 CFTR 2184/4885KMT2A 1010/4885MEN1 2926/4885

“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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