SCHEMBL3771260

SCHEMBL3771260

CCOC(=O)[C@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ FKBP1A P62942 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ BTK Q06187 1/20 0.35

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
SCHEMBL12396230 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL8274289 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL3644549 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL2159702 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL12651618 0.88 MMP2 (0.43) ALDH1A1SMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL12705542 0.84 SMYD3 (0.39) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL12396300 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL9636968 0.78 FKBP1A (0.39) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL3041685 0.78 POLB (0.50) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL16104864 0.78 CYP1A2 (0.40) ALDH1A1MEN1KMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 — — 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 (1 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-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PDE4B, PDE4A, PDE3B ALDH1A1 332/4885MEN1 3333/4885KMT2A 3385/4885

“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.

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