SCHEMBL5227964

SCHEMBL5227964

CCc1nn(CCO)c(CC)c1Oc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
ENPP3 O14638 1/20 0.39
ALPL P05186 1/20 0.39
ENPP1 P22413 1/20 0.39
XIAP P98170 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PGR P06401 1/20 0.35
RAB9A P51151 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOD2 Q9HC29 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5228213 0.82 KDM4E (0.36) PTGDR2ATMKDM4EPGRALDH1A1
SCHEMBL5228227 0.82 PTGDR2 (0.40) PTGDR2SMN1; SMN2HTTMAPTKMT2A
SCHEMBL4112493 0.80 PGR (0.42) PGRALDH1A1HPGD
SCHEMBL509302 0.79 PTGDR2 (0.38) PTGDR2PGRALDH1A1MAPT
SCHEMBL4107983 0.78 AR (0.42) PGR
SCHEMBL508919 0.76 RARG (0.33) ATMPGRMAPTMEN1KMT2A
Lersivirine SCHEMBL508446 0.76 KCNH2 (0.49) PTGDR2PGRALDH1A1LMNA
SCHEMBL508393 0.73 KCNH2 (0.44) PGRALDH1A1MEN1KMT2ALMNA
SCHEMBL2717137 0.72 KCNH2 (0.53) PTGDR2PGRALDH1A1LMNA
Lersivirine SCHEMBL509058 0.71 KCNH2 (0.45) PTGDR2PGRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN claimed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PTGDR2 3728/4885ENPP3 968/4885ALPL 2483/4885

“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.