SCHEMBL14816941

SCHEMBL14816941

C=C(O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ UCHL1 P09936 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL14845549 1.00 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL29935483 0.89 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL28953620 0.89 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL14748405 0.87 HSD17B10 (0.58) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67044 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6219872 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL27877016 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL85536 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67045 0.87 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20492528 0.85 HSD17B10 (0.68) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 — — US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
WO-2013039878-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-21 — — 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS HSD17B10 3889/4885SMN1; SMN2 4385/4885NPC1 1409/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS HSD17B10 3889/4885SMN1; SMN2 4385/4885NPC1 1409/4885

“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.

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