SCHEMBL6501589

SCHEMBL6501589

CCOc1nc2ccc(C(=O)O)nc2n1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 2/20 0.38
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
TBXAS1 P24557 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PDE3A Q14432 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL6495658 0.85 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHTTPPARGAGTR1
SCHEMBL6305658 0.85 ALDH1A1 (0.45) SMN1; SMN2HTTPPARGALOX5APPTGES
SCHEMBL6492218 0.84 PPARG (0.48) PPARG
SCHEMBL6299688 0.78 ALDH1A1 (0.44) SMN1; SMN2HTTPPARGALDH1A1MAPT
SCHEMBL6298804 0.77 ALDH1A1 (0.42) SMN1; SMN2TSHRHTTPPARGALOX5AP
SCHEMBL6488346 0.77 PPARG (0.45) PPARGALOX5AP
SCHEMBL6492718 0.77 KDM4E (0.39) SMN1; SMN2TSHRPPARGALOX5APGLP1R
SCHEMBL6489317 0.73 MTNR1A (0.42) SMN1; SMN2HTTPPARGCYP3A4CYP2C9
SCHEMBL6298952 0.73 PTGER4 (0.42) SMN1; SMN2TSHRHTTPPARGAGTR1
SCHEMBL6298793 0.73 ALDH1A1 (0.43) SMN1; SMN2HTTPPARGCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A SMN1; SMN2 325/4885TSHR 2673/4885HTT 4147/4885

“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.