SCHEMBL3914823

SCHEMBL3914823

O=C(O)c1ccc(C(=O)O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ EPHX2 P34913 1/20 0.57
▸ TRPV1 Q8NER1 3/20 0.56
▸ PTGS1 P23219 3/20 0.56
▸ PPARG P37231 2/20 0.56
▸ PPARD Q03181 2/20 0.56
▸ NR1H4 Q96RI1 2/20 0.56
▸ PPARA Q07869 1/20 0.56
▸ P2RY14 Q15391 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RORC P51449 1/20 0.55
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL14426507 0.88 ALDH1A1 (0.62) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL14149922 0.85 PLG (0.59) PTGS1PPARGPPARDNR1H4PPARA
SCHEMBL8770858 0.83 FFAR1 (0.58) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL11730950 0.83 NPC1 (0.77) NPC1RAB9AEPHX2TRPV1PTGS1
SCHEMBL11582566 0.82 SORT1 (0.61) NPC1RAB9APTGS1ALDH1A1SMN1; SMN2
SCHEMBL14106166 0.82 PTPN1 (0.63) PTGS1PPARGPPARDNR1H4PPARA
SCHEMBL12700361 0.82 NPC1 (0.71) NPC1RAB9AEPHX2PTGS1ALDH1A1
SCHEMBL10616433 0.82 ALDH1A1 (0.68) RAB9AALDH1A1CYP1A2HPGD
SCHEMBL12835395 0.80 TMPRSS4 (0.59) RAB9AEPHX2TRPV1PPARGPPARD
SCHEMBL14149920 0.80 PLG (0.59) PTGS1PPARGPPARDNR1H4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 — — EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 — — US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 — — US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 — — US disclosed
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 — — CN disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 — — EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 — — WO disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 — — US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 — — 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 (2 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH NPC1 1461/4885RAB9A 2639/4885EPHX2 430/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA NPC1 1568/4885RAB9A 3696/4885EPHX2 410/4885

“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.

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