SCHEMBL4944399

SCHEMBL4944399

O=C(O)CC(=O)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ HPGD P15428 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ CES1 P23141 2/20 0.59
▸ CES2 O00748 1/20 0.59
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PARP1 P09874 1/20 0.55

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
SCHEMBL29987428 0.90 MEN1 (0.72) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL29668521 0.89 HPGD (0.71) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL28346776 0.89 HPGD (0.71) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL9988361 0.84 HPGD (0.54) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL28972819 0.84 HPGD (0.65) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL30114944 0.84 HPGD (0.65) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL28972820 0.84 HPGD (0.65) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL3022836 0.83 MEN1 (0.59) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL2691520 0.83 NR4A2 (0.62) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL3026885 0.83 MEN1 (0.59) MEN1KMT2AHPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153999-B Compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP. (KR) 2016-06-01 — — CN disclosed
US-20080167322-A1 Substituted Pyrazoles as Modulators of Chemokine Receptors MERCK SHARP & DOHME CORP. 2008-07-10 — — US disclosed
EP-1853260-A1 SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2007-11-14 — — EP disclosed
WO-2006088813-A1 SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2006-08-24 — — 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 (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-20080167322-A1 Substituted Pyrazoles as Modulators of Chemokine Receptors CCR1, CCR3, CCR2 MEN1 4495/4885KMT2A 4288/4885HPGD 1704/4885

“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.

Send feedback