SCHEMBL5016035

SCHEMBL5016035

CCCCCc1ccc(C(=O)O)nc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.90
MAPT P10636 3/20 0.90
NFKB1 P19838 2/20 0.90
MEN1 O00255 2/20 0.90
KMT2A Q03164 2/20 0.90
KDM4E B2RXH2 2/20 0.90
LMNA P02545 1/20 0.90
CYP1A2 P05177 1/20 0.90
CYP3A4 P08684 1/20 0.90
PKM P14618 1/20 0.90
ALOX15 P16050 1/20 0.90
TSHR P16473 1/20 0.90
THPO P40225 1/20 0.90
BLM P54132 1/20 0.90
PMP22 Q01453 1/20 0.90
HIF1A Q16665 1/20 0.90
TDP1 Q9NUW8 1/20 0.90
L3MBTL1 Q9Y468 1/20 0.90
P4HTM Q9NXG6 2/20 0.63
NPC1 O15118 3/20 0.61

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
SCHEMBL9096660 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL10662786 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL10660431 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL10662805 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL10986992 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL2689054 0.98 ALDH1A1 (0.88) ALDH1A1MAPTNFKB1MEN1KMT2A
SCHEMBL2271999 0.97 ALDH1A1 (0.85) ALDH1A1MAPTNFKB1MEN1KMT2A
Fusaric Acid SCHEMBL29406685 0.95 ALDH1A1 (1.00) ALDH1A1MAPTNFKB1MEN1KMT2A
Fusaric Acid SCHEMBL8606376 0.95 ALDH1A1 (1.00) ALDH1A1MAPTNFKB1MEN1KMT2A
Fusaric Acid SCHEMBL178006 0.95 ALDH1A1 (1.00) ALDH1A1MAPTNFKB1MEN1KMT2A

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
EP-3101001-B1 DEUTERATED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INT GMBH (CH) 2020-04-01 EP claimed
EP-0066242-B1 TOCOPHERYL ESTER OF 5-SUBSTITUTED PICOLINIC ACID, PROCESS FOR ITS PRODUCTION, AND PHARMACEUTICAL COMPOSITION CONTAINING IT BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP claimed
US-4443459-A α-Tocopheryl ester of 5-substituted picolinic acid and hypotensive composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-04-17 US claimed
EP-0066242-A1 Tocopheryl ester of 5-substituted picolinic acid, process for its production, and pharmaceutical composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-12-08 EP claimed
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 US disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US disclosed
EP-1824822-A2 NOVEL 4-AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-08-29 EP disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
EP-0066242-B1 TOCOPHERYL ESTER OF 5-SUBSTITUTED PICOLINIC ACID, PROCESS FOR ITS PRODUCTION, AND PHARMACEUTICAL COMPOSITION CONTAINING IT BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP disclosed
US-4443459-A α-Tocopheryl ester of 5-substituted picolinic acid and hypotensive composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-04-17 US disclosed
EP-0066242-A1 Tocopheryl ester of 5-substituted picolinic acid, process for its production, and pharmaceutical composition containing it BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-12-08 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-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD ALDH1A1 1303/4885MAPT 3156/4885NFKB1 1951/4885

“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.