Sugi Predict

Sugi Predict / Compounds / SCHEMBL1260138

SCHEMBL1260138

SCHEMBL1260138

C=CCCn1c(O[C@H]2CN[C@H](C(=O)OC)C2)cc2ccccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ P2RX3 P56373 1/20 0.37
▸ KDR P35968 2/20 0.36
▸ KAT2B Q92831 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GPR18 Q14330 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL15000198 0.90 KAT2B (0.32) KAT2BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1260139 0.77 KAT2B (0.34) KAT2BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1260179 0.76 MEN1 (0.43) PIM1P2RX3KDM4EALDH1A1HPGD
SCHEMBL14999963 0.75 AGTR2 (0.33) KAT2BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12892991 0.73 PIM1 (0.39) PIM1P2RX3KDRALDH1A1ALOX15
Hydrochloric Acid SCHEMBL1260697 0.72 PIM1 (0.39) PIM1P2RX3KDRALDH1A1ALOX15
SCHEMBL881965 0.70 P2RX3 (0.39) PIM1P2RX3KDRKDM4EALDH1A1
SCHEMBL12934520 0.70 PIM1 (0.47) PIM1P2RX3KDRKDM4EALDH1A1
SCHEMBL15096207 0.70 P2RX3 (0.45) PIM1P2RX3KDM4EALDH1A1HSD17B10
SCHEMBL1260137 0.69 CNR2 (0.32) KDM4EHSD17B10CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271345-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2015-05-20 — — EP disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 — — US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 — — US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 — — US disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 — — 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC PIM1 2404/4885P2RX3 3516/4885KDR 4626/4885

“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.