SCHEMBL9209192

SCHEMBL9209192

CC(=O)c1cc(NS(C)(=O)=O)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ADRA2C P18825 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HPGD P15428 3/20 0.48
KIF11 P52732 2/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
FABP4 P15090 2/20 0.41
FABP5 Q01469 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL9216909 0.87 FABP4 (0.53) ADRA2CADRA1AADRA1BFABP4FABP5
SCHEMBL9208872 0.84 POLB (0.55) ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B
SCHEMBL20090414 0.83 EPHX2 (0.49) ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B
SCHEMBL17170051 0.83 ADRA2C (0.52) ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B
SCHEMBL1120903 0.81 ADRA2C (0.51) ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B
SCHEMBL7355242 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLBKDM4E
SCHEMBL857789 0.80 BRAF (0.59) HPGDAURKADAPK3JAK2KDR
Hydrochloric Acid SCHEMBL9209804 0.80 ADRA2C (0.57) ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B
SCHEMBL1120898 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDKIF11EPHX2
SCHEMBL7845841 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
CN-1043526-C Sulfoneanilide derivative and application of same in medicine NIPPON SHINYAKU CO LTD (JP) 1999-06-02 CN disclosed
EP-0538469-B1 SULFONANILIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 1995-09-27 EP disclosed
US-5360822-A FOR TREATING URINARY INCONTINENCE IN ANIMALS AND HUMANS NIPPON SHINYAKU CO. LTD. (JP) 1994-11-01 US disclosed
EP-0538469-A1 SULFONANILIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-28 EP 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885SMN1; SMN2 1839/4885ADRA2C 4049/4885

“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.