SCHEMBL4986557

SCHEMBL4986557

Clc1cc(OBOc2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
MRGPRX4 Q96LA9 9/20 0.50
HPGD P15428 4/20 0.44
PPARG P37231 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX5 P09917 1/20 0.44
TP53 P04637 2/20 0.43
XBP1 P17861 2/20 0.43
MITF O75030 1/20 0.43
ACP1 P24666 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN13 Q12923 1/20 0.43
SSU72 Q9NP77 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL16034900 0.88 GAA (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17658995 0.87 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1516640 0.81 S1PR5 (0.45) MRGPRX4ALOX5CYP1A2CYP2C19
SCHEMBL4050995 0.81 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL906203 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL27569179 0.79 MRGPRX4 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16034065 0.78 ALOX5 (0.44) NPC1RAB9ASMN1; SMN2MRGPRX4ALOX5
SCHEMBL13047045 0.78 MRGPRX4 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5433423 0.78 ALOX5 (0.54) RAB9ASMN1; SMN2ALOX5MAPTCYP1A2
SCHEMBL3409377 0.77 MAPT (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090873-A1 Sulfonamide derivatives PFIZER INC. 2008-04-17 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 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-20080090873-A1 Sulfonamide derivatives SULT2A1, SULT1A1, STS NPC1 2576/4885RAB9A 3556/4885SMN1; SMN2 1476/4885

“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.