SCHEMBL19410130

SCHEMBL19410130

CC(C)(C)OC(=O)Cn1c(=O)n(CC(N)C(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ GRIA1 P42261 2/20 0.45
▸ GRIA2 P42262 2/20 0.45
▸ GRIA3 P42263 2/20 0.45
▸ GRIA4 P48058 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SLC7A5 Q01650 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 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
Hydrochloric Acid SCHEMBL19410134 0.99 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL18171779 0.85 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL19420852 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL19410182 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL19410181 0.80 GRIA1 (0.43) ALDH1A1NPC1GAAGRIA1GRIA2
SCHEMBL19410179 0.80 GRIA1 (0.43) ALDH1A1NPC1GAAGRIA1GRIA2
SCHEMBL2762363 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL3571941 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL19410213 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1GAAAPEX1
SCHEMBL27767304 0.74 APEX1 (0.47) ALDH1A1KDM4EAPEX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US 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-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885KDM4E 2736/4885NPC1 3367/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885KDM4E 2736/4885NPC1 3367/4885

“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.

Send feedback