SCHEMBL20819243

SCHEMBL20819243

CCOC(=O)C(C)C(=O)CSc1nnc(C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 8/20 0.49
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HSD11B1 P28845 5/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 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
SCHEMBL20819224 0.79 GAA (0.44) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL4676031 0.78 GAA (0.61) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL20819192 0.75 ALDH1A1 (0.58) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL10402042 0.73 GAA (0.73) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL11927276 0.73 GAA (0.73) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL1686848 0.73 GAA (1.00) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL11522387 0.72 GAA (0.71) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL11802526 0.72 GAA (0.71) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL11522382 0.72 GAA (0.71) GAAL3MBTL1RAB9AALDH1A1LMNA
SCHEMBL20819204 0.70 GAA (0.55) GAAALDH1A1LMNASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
EP-3681499-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. Shaw Research, LLC (US) 2020-07-22 — — EP disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — WO disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — 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 (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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS GAA 598/4885L3MBTL1 4627/4885RAB9A 21/4885

“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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