SCHEMBL16110256

SCHEMBL16110256

CCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 6/20 0.74
PKM P14618 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
PKLR P30613 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL16311216 0.86 ALDH1A1 (0.58) CCR6PKMSMN1; SMN2HTTGAA
SCHEMBL17303771 0.79 TSHR (0.64) CCR6GAACYP2C19MAPTKMT2A
SCHEMBL7094586 0.75 CA12 (0.64) CCR6PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1147229 0.75 KDM4E (0.55) SMN1; SMN2CYP1A2CYP3A4GAAMAPT
SCHEMBL23178943 0.74 PKM (0.75) CCR6PKMSMN1; SMN2HTTGAA
SCHEMBL31155671 0.74 EPHX2 (0.59) CCR6PKMHTTKMT2AMEN1
SCHEMBL1722721 0.73 PKM (1.00) PKMSMN1; SMN2HTTGAAMAPT
SCHEMBL31315853 0.73 PKM (1.00) PKMSMN1; SMN2HTTGAAMAPT
SCHEMBL12189232 0.73 ALDH1A1 (0.72) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL7471529 0.73 PKM (0.73) CCR6PKMSMN1; SMN2HTTGAA

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 14 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
EP-2939999-B1 HIGH-PURITY MONOALKENYL-CONTAINING GLYCERIN DERIVATIVE, AND METHOD FOR PRODUCING SAME DOW CORNING TORAY CO LTD (JP) 2018-03-07 EP 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-9663432-B2 High-purity monoalkenyl-containing glycerin derivative and method of manufacturing same DOW CORNING TORAY CO., LTD. (JP) 2017-05-30 US disclosed
US-20160052849-A1 High-Purity Monoalkenyl-Containing Glycerin Derivative, And Method For Producing Same Dow Coming Toray Co., Ltd. (JP) 2016-02-25 US disclosed
EP-2968285-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 EP disclosed
EP-2939999-A1 HIGH-PURITY MONOALKENYL-CONTAINING GLYCERIN DERIVATIVE, AND METHOD FOR PRODUCING SAME Dow Corning Toray Co., Ltd. (JP) 2015-11-04 EP disclosed
US-20140371330-A1 Novel Co-Modified Organopolysiloxane, And Treatment Agent And External Use Preparation Comprising The Same DOW TORAY CO., LTD. (JP) 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 (4 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 240/4885PKM 1872/4885SMN1; SMN2 3019/4885
US-20140371330-A1 Novel Co-Modified Organopolysiloxane, And Treatment Agent And External Use Preparation Comprising The Same H1-0, H1-2, F12 CCR6 1357/4885PKM 2885/4885SMN1; SMN2 542/4885
US-20160052849-A1 High-Purity Monoalkenyl-Containing Glycerin Derivative, And Method For Producing Same GK, GYPA, NOTUM CCR6 3982/4885PKM 359/4885SMN1; SMN2 3904/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE CCR6 240/4885PKM 1872/4885SMN1; SMN2 3019/4885

“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.