SCHEMBL21906262

SCHEMBL21906262

CCCCC(C)CC(=O)N1CCCC1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PEPD P12955 2/20 0.45
▸ FKBP1A P62942 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ACE P12821 2/20 0.40
▸ XPNPEP1 Q9NQW7 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ REN P00797 2/20 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
SCHEMBL19255356 0.84 PEPD (0.41) PEPDFKBP1APOLBKLK5ALDH1A1
SCHEMBL13885358 0.82 POLB (0.50) PEPDFKBP1APOLBKLK5ALDH1A1
SCHEMBL26213384 0.82 POLB (0.50) PEPDFKBP1APOLBKLK5ALDH1A1
SCHEMBL23394426 0.82 ACE (0.51) PEPDF2RAB9ALMNAACE
SCHEMBL26199484 0.81 PEPD (0.50) PEPDFKBP1APOLBKLK5ALDH1A1
SCHEMBL26199360 0.81 PEPD (0.50) PEPDFKBP1APOLBKLK5ALDH1A1
SCHEMBL18796576 0.79 LMNA (0.49) FKBP1APOLBRAB9ALMNASMN1; SMN2
SCHEMBL31159664 0.79 LMNA (0.49) FKBP1APOLBRAB9ALMNASMN1; SMN2
SCHEMBL21902736 0.78 LMNA (0.53) PEPDFKBP1APOLBALDH1A1RAB9A
SCHEMBL19192922 0.78 LMNA (0.53) PEPDFKBP1APOLBALDH1A1RAB9A

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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2021-05-25 — — US disclosed
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 — — 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 (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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E PEPD 167/4885FKBP1A 855/4885POLB 6/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E PEPD 167/4885FKBP1A 855/4885POLB 6/4885

“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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