Sugi Predict

Sugi Predict / Compounds / SCHEMBL2380249

SCHEMBL2380249

SCHEMBL2380249

CC(C)(C)OC(=O)N1CC(C2CC2)=CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34

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
SCHEMBL2380244 1.00 HSD17B10 (0.39) HSD17B10NPC1GPR119KDM4EMAPT
SCHEMBL2381284 0.86 PTPN1 (0.41) NPC1KDM4EMAPTTHRBLMNA
SCHEMBL2381288 0.86 PTPN1 (0.41) NPC1KDM4EMAPTTHRBLMNA
SCHEMBL2379577 0.82 HSD17B10 (0.38) HSD17B10NPC1GPR119LMNANPSR1
SCHEMBL3428595 0.82 HSD17B10 (0.38) HSD17B10NPC1GPR119LMNANPSR1
SCHEMBL2379580 0.82 HSD17B10 (0.38) HSD17B10NPC1GPR119LMNANPSR1
SCHEMBL12248081 0.82 KDM4E (0.38) HSD17B10NPC1GPR119KDM4EMAPT
SCHEMBL13655935 0.81 HCRTR2 (0.43) GPR119KDM4EHCRTR2NR1H2NR1H3
SCHEMBL2378919 0.78 HSD17B10 (0.36) HSD17B10GPR119KDM4ESMN1; SMN2NR1H2
SCHEMBL2378912 0.78 HSD17B10 (0.36) HSD17B10GPR119KDM4ESMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023169573-A1 POLθ INHIBITOR 武汉人福创新药物研发中心有限公司 2023-09-14 — — WO disclosed
CN-116730979-A Pol theta inhibitor 武汉人福创新药物研发中心有限公司 2023-09-12 — — CN disclosed
US-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 — — US disclosed
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-21 — — US disclosed
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-21 — — US disclosed
EP-2580209-A2 INHIBITORS OF HCV NS5A PROTEIN Presidio Pharmaceuticals, Inc. (US) 2013-04-17 — — EP disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 — — WO disclosed
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-09-15 — — US disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 — — 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 (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-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN HAVCR2, EIF2AK2, PPP2CA HSD17B10 2549/4885NPC1 404/4885GPR119 4135/4885
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, MAVS HSD17B10 4090/4885NPC1 747/4885GPR119 2620/4885

“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.