Sugi Predict

Sugi Predict / Compounds / SCHEMBL20139402

SCHEMBL20139402

SCHEMBL20139402

CCOC(=O)c1cn(CCC2(C)OCCO2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TEAD2 Q15562 1/20 0.38
▸ KDM4E B2RXH2 7/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ BAZ2A Q9UIF9 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL21281711 0.85 KDM4E (0.42) TEAD2KDM4EALDH1A1HPGDGAA
SCHEMBL21272516 0.82 TEAD2 (0.33) TEAD2KDM4EALDH1A1HPGDGAA
SCHEMBL21272486 0.78 L3MBTL1 (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21272326 0.77 PDE4D (0.42) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL20139084 0.77 KMT2A (0.46) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL23273647 0.75 L3MBTL1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20139822 0.72 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3267578 0.72 TSHR (0.50) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL20139105 0.71 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6154440 0.71 TSHR (0.42) TEAD2KDM4EALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 — — CN disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 — — EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 — — EP disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 TEAD2 2873/4885KDM4E 739/4885ALDH1A1 779/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 TEAD2 2873/4885KDM4E 739/4885ALDH1A1 779/4885

“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.