SCHEMBL18157020

SCHEMBL18157020

CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cc2)C1=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.85
ABCC3 O15438 3/20 0.85
ABCC4 O15439 3/20 0.85
ABCB11 O95342 3/20 0.85
HIF1A Q16665 3/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
TBXA2R P21731 2/20 0.85
NR1I3 Q14994 2/20 0.85
AKR1C3 P42330 1/20 0.85
AKR1C1 Q04828 1/20 0.85
KCNH2 Q12809 2/20 0.57
PPARG P37231 8/20 0.49
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HTR1A P08908 1/20 0.46

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
Glimepiride SCHEMBL14965363 0.92 CYP2C9 (1.00) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL16084 0.92 CYP2C9 (1.00) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL16086 0.92 CYP2C9 (1.00) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL1331215 0.92 CYP2C9 (1.00) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL6381985 0.91 CYP2C9 (0.95) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL5081711 0.91 CYP2C9 (0.98) CYP2C9ABCC3ABCC4ABCB11HIF1A
Glimepiride SCHEMBL20877218 0.91 CYP2C9 (0.98) CYP2C9ABCC3ABCC4ABCB11HIF1A
SCHEMBL11189249 0.91 CYP2C9 (0.86) CYP2C9ABCC3ABCC4ABCB11HIF1A
SCHEMBL18157019 0.90 CYP2C9 (0.85) CYP2C9ABCC3ABCC4ABCB11HIF1A
SCHEMBL19096540 0.85 MEN1 (0.73) CYP2C9ABCC3ABCC4ABCB11HIF1A

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-20190283010-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2019-09-19 US disclosed
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds EMPIRIKO CORPORATION (US) 2019-04-23 US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 US disclosed
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS EMPIRIKO CORPORATION 2016-10-20 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 (3 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-20190283010-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP3A43, CYP3A4, CYP2D6 CYP2C9 4/4885ABCC3 514/4885ABCC4 658/4885
US-20160303553-A1 EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS CYP3A43, CYP3A4, CYP2D6 CYP2C9 4/4885ABCC3 514/4885ABCC4 658/4885
US-10265692-B2 Ex vivo methods for predicting and confirming in vivo metabolism of pharmaceutically active compounds CYP3A43, CYP3A4, CYP2D6 CYP2C9 4/4885ABCC3 514/4885ABCC4 658/4885

“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.