SCHEMBL3924044

SCHEMBL3924044

O=C(O)C1C2C=CC(O2)C1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 4/20 0.68
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ALDH1A1 P00352 9/20 0.62
▸ HPGD P15428 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ EPHX2 P34913 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL23823001 0.86 ALDH1A1 (0.57) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL727169 0.81 PPM1B (0.74) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL728769 0.81 PPM1B (0.74) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL3495484 0.80 LMNA (0.73) PPM1BKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL728396 0.78 POLB (0.68) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL16374369 0.78 PPM1B (0.72) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL12040442 0.77 ALDH1A1 (0.70) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL3917825 0.71 EPHX2 (0.54) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9013063 0.71 ALDH1A1 (0.59) PPM1BKMT2AMEN1ALDH1A1HPGD
SCHEMBL3924984 0.71 RAB9A (0.57) KMT2AMEN1MAPTHTTEPHX2

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 5 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
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 — — US 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 PPM1B 1626/4885KMT2A 2778/4885MEN1 4849/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA PPM1B 1741/4885KMT2A 2031/4885MEN1 4714/4885

“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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