SCHEMBL7563347

SCHEMBL7563347

CC(C(=O)O)N(O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1B1 P15121 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7366363 0.83 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL29643326 0.83 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL173510 0.83 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL173511 0.83 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL29643341 0.83 SIGMAR1 (0.50) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL1697074 0.82 SMPD2 (0.48) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL4082840 0.82 SMPD2 (0.48) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6113113 0.81 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6113112 0.81 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3
SCHEMBL6119288 0.81 SMPD2 (0.47) SMPD2SIGMAR1NR4A1NR4A2NR4A3

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-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US disclosed
WO-2002070680-A1 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-1226237-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed
WO-2001016300-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO 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-20020183249-A1 Method of identifying inhibitors of CDC25 CDC25C, CDC25A, CDC25B SMPD2 354/4885SIGMAR1 4804/4885NR4A1 4693/4885

“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.