Sugi Predict

Sugi Predict / Compounds / SCHEMBL9825702

SCHEMBL9825702

SCHEMBL9825702

CCC(C)[C@H](NC=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FPR2 P25090 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ ENPEP Q07075 2/20 0.37
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL2377589 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL2377592 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL28664873 0.98 ALDH1A1 (0.52) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL28671686 0.98 ALDH1A1 (0.52) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL28663225 0.98 ALDH1A1 (0.52) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL27976190 0.98 ALDH1A1 (0.52) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL18098723 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL16623912 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL16623919 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL16623913 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1FPR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 — — US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 — — US disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 — — US disclosed
EP-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 — — EP disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 — — EP 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-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 ALDH1A1 1155/4885L3MBTL1 3827/4885FPR2 770/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885L3MBTL1 3827/4885FPR2 770/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885L3MBTL1 3827/4885FPR2 770/4885

“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.