SCHEMBL6944681

SCHEMBL6944681

O=C(NCC(c1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 4/20 0.52
MAPT P10636 6/20 0.45
LMNA P02545 6/20 0.43
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL5997191 0.86 HPGD (0.46) RAB9ATP53MAPTLMNAHPGD
SCHEMBL5998887 0.81 RAB9A (0.55) RAB9AKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5998217 0.79 TACR1 (0.51) RAB9ANPC1
SCHEMBL5996332 0.78 TP53 (0.54) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL5998358 0.78 HPGD (0.58) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL5999513 0.77 NPC1 (0.52) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL7168161 0.69 NPC1 (0.47) RAB9AKDM4ESMN1; SMN2TP53LMNA
SCHEMBL5998892 0.69 CYP3A4 (0.50) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL5996829 0.68 RAB9A (0.48) RAB9AKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5997782 0.68 RAB9A (0.47) RAB9AKDM4ESMN1; SMN2MAPTLMNA

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 13 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-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 RAB9A 3661/4885KDM4E 2974/4885SMN1; SMN2 4242/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO RAB9A 3374/4885KDM4E 707/4885SMN1; SMN2 3101/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 RAB9A 3661/4885KDM4E 2974/4885SMN1; SMN2 4242/4885

“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.