SCHEMBL21906500

SCHEMBL21906500

CCCCCOCCCCCN(C)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CES2 O00748 2/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 6/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
DNM1 Q05193 2/20 0.39
PLA2G2C Q5R387 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
NAAA Q02083 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDM5A P29375 1/20 0.36

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
SCHEMBL21906499 0.90 EPHX1 (0.43) EPHX1CES2MEN1THRBHTT
SCHEMBL15334066 0.88 EPHX2 (0.45) EPHX1EPHX2DNM1S1PR2S1PR1
SCHEMBL966426 0.82 CA12 (0.40) EPHX1EPHX2DNM1KDM5A
SCHEMBL21121282 0.82 EPHX2 (0.38) EPHX2KDM5A
SCHEMBL23945915 0.81 CES2 (0.53) CES2MEN1THRBHTTKMT2A
SCHEMBL24848354 0.79 CES2 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL14557304 0.77 CES2 (0.53) EPHX1CES2MEN1THRBHTT
SCHEMBL26373401 0.77 SPHK1 (0.45) CES2MEN1THRBHTTKMT2A
SCHEMBL10341550 0.76 CES2 (0.47) EPHX1CES2MEN1THRBHTT
SCHEMBL22848883 0.75 CES2 (0.50) CES2MEN1THRBHTTKMT2A

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 EPHX1 2595/4885CES2 4551/4885MEN1 4650/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E EPHX1 2595/4885CES2 4551/4885MEN1 4650/4885

“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.