SCHEMBL6524012

SCHEMBL6524012

COc1cc(S(=O)(=O)Cl)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42

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
SCHEMBL8542441 0.88 ALDH1A1 (0.51) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11436791 0.87 TRPV4 (0.49) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL29451339 0.84 TRPV4 (0.41) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11432062 0.84 TRPV4 (0.49) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL10969930 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL23833765 0.83 TRPV4 (0.44) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL4303778 0.83 TRPV4 (0.44) TRPV4ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL10778338 0.82 ALDH1A1 (0.62) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL29212392 0.81 VCAM1 (0.45) ALDH1A1MAPTTDP1LMNAPOLB
SCHEMBL11135612 0.78 ALDH1A1 (0.58) ALDH1A1KDM4ECYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 — — EP disclosed
US-20030176461-A1 Aminopiperidines NPS ALLELIX CORP. (CANADA CORPORATION) (CA) 2003-09-18 — — US disclosed
EP-1296950-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS Allelix Corp. (CA) 2003-04-02 — — EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 — — EP disclosed
WO-2001081308-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS ALLELIX CORP. (CA) 2001-11-01 — — WO disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 — — US disclosed
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 — — CN disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 — — US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 — — EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 — — 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 (1 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-20030176461-A1 Aminopiperidines SLC1A2, SLC6A4, SLC1A1 TRPV4 1749/4885ALDH1A1 1218/4885KDM4E 3316/4885

“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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