SCHEMBL5998358

SCHEMBL5998358

O=C(NCC(c1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
ALOX15 P16050 1/20 0.45

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
SCHEMBL5996332 0.80 TP53 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5999513 0.78 NPC1 (0.52) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6944681 0.78 RAB9A (0.52) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5998526 0.77 RAB9A (0.58) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5998887 0.74 RAB9A (0.55) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5997191 0.73 HPGD (0.46) HPGDNPC1RAB9AALDH1A1TP53
SCHEMBL31530573 0.73 RAB9A (0.78) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7168161 0.71 NPC1 (0.47) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5998892 0.70 CYP3A4 (0.50) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL28928814 0.70 RAB9A (1.00) HPGDNPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US claimed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US claimed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US claimed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP claimed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO claimed
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 HPGD 189/4885NPC1 1491/4885RAB9A 3661/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO HPGD 544/4885NPC1 1914/4885RAB9A 3374/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 HPGD 189/4885NPC1 1491/4885RAB9A 3661/4885

“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.