SCHEMBL7445158

SCHEMBL7445158

CC(OS(C)(=O)=O)C(CCCc1ccccc1)n1cnc2c(=O)[nH]c(C3CCCCC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
USP2 O75604 6/20 0.40
HPGD P15428 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE2A O00408 1/20 0.37
ADORA1 P30542 2/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 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
SCHEMBL7433401 0.90 ALDH1A1 (0.40) ALDH1A1USP2HPGDNPSR1MAPK1
SCHEMBL7442757 0.87 ADORA2A (0.36) ALDH1A1HPGDNPSR1MAPK1HSD17B10
SCHEMBL6051984 0.87 HPGD (0.42) ALDH1A1USP2HPGDNPSR1MAPK1
SCHEMBL6051956 0.80 PDE2A (0.43) ALDH1A1USP2HPGDNPSR1MAPK1
SCHEMBL7440938 0.80 HPGD (0.44) ALDH1A1USP2HPGDNPSR1MAPK1
SCHEMBL8138890 0.78 PDE5A (0.53) ALDH1A1USP2HPGDHSD17B10MEN1
SCHEMBL8132200 0.75 PDE5A (0.53) ALDH1A1USP2HPGDHSD17B10MEN1
SCHEMBL8138388 0.75 PDE5A (0.52) ALDH1A1USP2HPGDHSD17B10MEN1
SCHEMBL7440965 0.73 ADA (0.49) ALDH1A1HSD17B10TSHRLMNAALOX15
SCHEMBL8133222 0.72 PDE5A (0.55) ALDH1A1USP2HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440981-B1 REGULATING APOPTOSIS IN HUMAN CELLS COMPRISING EXPOSING SAID CELLS TO AN EFFECTIVE AMOUNT OF A 2,9-DISUBSTITUTED PURINE-6 ONE COMPOUND CELL PATHWAYS, INC. 2002-08-27 US disclosed
US-20020032209-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones OSI PHARMACEUTICALS, INC. 2002-03-14 US disclosed
US-6268372-B1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones CELL PATHWAYS, INC. 2001-07-31 US disclosed
US-5861404-A ANTIINFLAMMATORY AGENTS, THROMBOEMBOLIC AND CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0722944-A1 2-9-Disubstituted Purin-6-ones BAYER AG (DE) 1996-07-24 EP 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-20020032209-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones MKI67, PCNA, HRAS ALDH1A1 1111/4885USP2 816/4885HPGD 612/4885

“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.