SCHEMBL1978150

SCHEMBL1978150

CC(=O)NC(=O)C[C@@H](C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
RAB9A P51151 4/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
SCN3A Q9NY46 1/20 0.56
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL18870066 0.84 HPGD (0.55) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL2049574 0.81 HPGD (0.59) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL28078351 0.80 LMNA (0.48) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL28181525 0.80 HPGD (0.58) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL13998890 0.80 HPGD (0.62) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL11484603 0.79 FFAR1 (0.53) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL1149358 0.79 FFAR1 (0.53) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL1149769 0.79 FFAR1 (0.53) HPGDRAB9ACYP3A4CYP2C19SCN3A
SCHEMBL18815137 0.77 ALDH1A1 (0.60) HPGDRAB9ACYP3A4CYP2C19SCN3A
Acetic Acid SCHEMBL159740 0.77 FFAR1 (0.66) HPGDRAB9ACYP3A4CYP2C19SCN3A

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
US-8168642-B2 Dihydropyrimidine compounds and their uses in preparation of medicaments for treating and preventing antiviral diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-05-01 US disclosed
EP-2336115-A1 Dihydropyrimidine compounds and use thereof for the treatment of viral diseases Beijing Molecule Science and Technology Co., Ltd. (CN) 2011-06-22 EP disclosed
US-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2010-04-08 US disclosed
EP-2039686-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN PREPARATION OF MEDICAMENTS FOR TREATING AND PREVENTING ANTIVIRAL DISEASES Beijing Molecule Science and Technology Co., Ltd. (CN) 2009-03-25 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-20100087448-A1 Dihydropyrimidine Compounds and Their Uses in Preparation of Medicaments for Treating and Preventing Antiviral Diseases DPYD, HPRT1, DHX15 HPGD 303/4885RAB9A 2568/4885CYP3A4 662/4885

“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.