Sugi Predict

Sugi Predict / Compounds / SCHEMBL7922248

SCHEMBL7922248

SCHEMBL7922248

CC(C)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ APLNR P35414 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CTSK P43235 5/20 0.39
▸ CTSS P25774 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37

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
SCHEMBL14831297 0.86 CA1 (0.43) PIK3CDCA1CA2CA7APLNR
SCHEMBL28382751 0.85 CA1 (0.42) PIK3CDCA1CA2CA7APLNR
SCHEMBL16855012 0.84 APLNR (0.42) CA1CA2CA7APLNRCA12
SCHEMBL27277682 0.84 APLNR (0.42) CA1CA2CA7APLNRCA12
SCHEMBL17035395 0.83 MEN1 (0.43) CA1CA2CA7APLNRCA12
SCHEMBL22728175 0.83 CA1 (0.41) CA1CA2CA7APLNRCA12
SCHEMBL21258185 0.83 CA1 (0.41) PIK3CDCA1CA2CA7APLNR
SCHEMBL16855011 0.82 APLNR (0.41) CA1CA2CA7APLNRCA12
SCHEMBL17035397 0.81 CA12 (0.47) PIK3CDCA1CA2CA7APLNR
SCHEMBL3374336 0.81 CTSK (0.42) CA1CA2CA7APLNRCA12

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
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 — — US disclosed
WO-2020251871-A2 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-12-17 — — WO disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 — — US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
EP-1135365-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 — — EP disclosed
WO-2000034230-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — 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 (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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 PIK3CD 2240/4885CA1 1151/4885CA2 877/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PIK3CD 2204/4885CA1 4791/4885CA2 3830/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 197/4885CA1 2768/4885CA2 2699/4885

“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.