SCHEMBL21999092

SCHEMBL21999092

N[C@@H](CCc1ccccc1)c1noc(CNC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 3/20 0.48
▸ ACE P12821 7/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL21168269 0.91 LTA4H (0.47) FKBP1AACEPOLBALDH1A1CYP3A4
SCHEMBL21168268 0.91 LTA4H (0.47) FKBP1AACEPOLBALDH1A1CYP3A4
SCHEMBL21168279 0.86 ACE (0.43) FKBP1AACEALDH1A1CYP3A4CYP2C9
SCHEMBL21168328 0.86 ACE (0.43) FKBP1AACEALDH1A1CYP3A4CYP2C9
SCHEMBL21168332 0.85 ACE (0.35) FKBP1AACEPOLBALDH1A1CYP3A4
SCHEMBL21168276 0.85 ACE (0.35) FKBP1AACEPOLBALDH1A1CYP3A4
SCHEMBL21168327 0.84 ACE (0.39) FKBP1AACEALDH1A1CYP3A4CYP2C9
SCHEMBL21168295 0.84 ACE (0.41) ACE
SCHEMBL21168296 0.84 ACE (0.41) ACE
SCHEMBL21168380 0.84 FKBP1A (0.35) FKBP1AACEALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-04-26 — — US disclosed
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-14 — — 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-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents CD47, CD63, CD99 FKBP1A 2991/4885ACE 4765/4885POLB 4698/4885
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents CD47, CD63, CD99 FKBP1A 2991/4885ACE 4765/4885POLB 4698/4885

“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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