Sugi Predict

Sugi Predict / Compounds / SCHEMBL21367494

SCHEMBL21367494

SCHEMBL21367494

COc1cc(O)c2c(c1C=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ TRIM24 O15164 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH5A1 P51649 1/20 0.42
▸ ABAT P80404 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ JUN P05412 1/20 0.40
▸ MME P08473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ PTPRF P10586 1/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 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
SCHEMBL30777445 1.00 ERN1 (0.53) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL21367505 0.84 ERN1 (0.42) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL8872403 0.81 ERN1 (0.42) ERN1ALDH1A1TDP1HPGDMEN1
SCHEMBL21360123 0.80 CYP3A4 (0.38) ERN1KDM4ECYP3A4MAPT
SCHEMBL25406783 0.74 ERN1 (0.65) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL30777416 0.72 PTPRF (0.44) ERN1ALDH1A1HPGDMEN1KMT2A
SCHEMBL283354 0.71 ERN1 (0.66) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL29459677 0.71 ERN1 (0.76) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL1002616 0.71 ERN1 (0.76) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL24110702 0.70 ERN1 (0.54) ERN1ALDH1A1TDP1AOX1TRIM24

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
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 — — CN disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 — — US disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 — — US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 — — US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 — — US disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 — — CN disclosed
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 — — 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-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885TDP1 211/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 ERN1 2506/4885ALDH1A1 86/4885TDP1 211/4885

“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.