Sugi Predict

Sugi Predict / Compounds / SCHEMBL5528107

SCHEMBL5528107

SCHEMBL5528107

COC(=O)c1c(C)cc(=O)n(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP3A4 P08684 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ CYP19A1 P11511 7/20 0.40
▸ NQO2 P16083 6/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL1977698 0.81 CYP3A4 (0.46) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL21826182 0.79 ALDH1A1 (0.48) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL25533294 0.79 KDM4E (0.53) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL29867989 0.75 KDM4E (0.68) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL1976296 0.73 CYP3A4 (0.40) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL2896391 0.73 CYP1A2 (0.50) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL11465593 0.72 HPGD (0.50) KDM4ECYP3A4HPGDALDH1A1HSD17B10
SCHEMBL12926002 0.71 KDM4E (0.68) KDM4ECYP3A4ACHEHPGDALDH1A1
SCHEMBL3802832 0.70 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL1036031 0.70 CYP3A4 (0.59) KDM4ECYP3A4ACHEHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 — — US disclosed
US-20070191335-A1 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease ROCHE PALO ALTO LLC 2007-08-16 — — 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-20070191335-A1 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease CCR5, CXCR1, CXCR3 KDM4E 2455/4885CYP3A4 2878/4885ACHE 4373/4885
US-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 KDM4E 4003/4885CYP3A4 2056/4885ACHE 3727/4885

“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.