SCHEMBL21026686

SCHEMBL21026686

CS(=O)(=O)ONc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.64
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
FFAR1 O14842 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
FFAR4 Q5NUL3 1/20 0.46
LMNA P02545 1/20 0.46
SOS1 Q07889 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9492832 0.85 KEAP1 (0.52) PGRHPGDSMN1; SMN2LMNACA1
Hydrochloric Acid SCHEMBL10526609 0.83 KEAP1 (0.50) PGRHPGDSMN1; SMN2LMNACA1
SCHEMBL29446941 0.83 KEAP1 (0.50) PGRHPGDCA1CA2CA9
SCHEMBL1200033 0.80 ALDH1A1 (0.48) PGRHTTHPGDLMNAGAA
SCHEMBL28015271 0.78 PGR (1.00) PGRHTTHPGDFFAR1SMN1; SMN2
SCHEMBL11127847 0.75 SOS1 (0.50) PGRHTTHPGDFFAR1SMN1; SMN2
SCHEMBL13434501 0.75 CA1 (0.47) HPGDFFAR1SMN1; SMN2LMNACA1
SCHEMBL20041022 0.75 HPGD (0.61) PGRHTTHPGDSMN1; SMN2CA9
SCHEMBL3376915 0.74 PGR (0.90) PGRHTTHPGDFFAR1SMN1; SMN2
SCHEMBL251282 0.73 KIF11 (0.50) PGRCA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 US 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-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R PGR 1116/4885HTT 3221/4885HPGD 301/4885

“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.