SCHEMBL16111168

SCHEMBL16111168

CCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(C)n3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 8/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ CCNA2 P20248 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL16135979 0.75 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTPKM
SCHEMBL16311216 0.74 ALDH1A1 (0.58) CCR6ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL16110256 0.73 CCR6 (0.74) CCR6ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL16136091 0.72 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL16136092 0.72 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1MAPTPKM
SCHEMBL26268478 0.72 OPRM1 (0.51) ALDH1A1RAB9A
SCHEMBL6468293 0.72 ALDH1A1 (0.51) ALDH1A1LMNANPC1RAB9AHSD17B10
SCHEMBL12189232 0.71 ALDH1A1 (0.72) ALDH1A1LMNAL3MBTL1SMN1; SMN2USP2
SCHEMBL26274451 0.71 OPRM1 (0.50) CCR6ALDH1A1LMNARAB9A
SCHEMBL14095784 0.71 MEN1 (0.48) CCR6ALDH1A1LMNAL3MBTL1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
EP-2968285-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 — — EP disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — WO disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — 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 (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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CCR6 240/4885ALDH1A1 514/4885CCNA2 2150/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CCR6 240/4885ALDH1A1 514/4885CCNA2 2150/4885

“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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