SCHEMBL3621875

SCHEMBL3621875

CC(C)(C)OC(=O)Nc1cccc2c1C(=O)c1sccc1CS2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.33
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
TDP2 O95551 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
LCK P06239 1/20 0.31
ELANE P08246 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL5766893 0.85 CCNE2 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5764100 0.82 PDK1 (0.44)
SCHEMBL5764585 0.82 PDK1 (0.44)
SCHEMBL5766316 0.82 PDK1 (0.44)
SCHEMBL13141672 0.81 CCNE2 (0.31) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3623949 0.79 METAP1 (0.40) METAP1RXFP1HSP90AA1HSP90AB1KMT2A
SCHEMBL3624434 0.76 NPSR1 (0.40) LMNAPOLBTP53MAPTELANE
SCHEMBL3620385 0.75 MAPK14 (0.37) KMT2ACDK2LMNAPOLBTP53
SCHEMBL5766370 0.74 METAP1 (0.39) METAP1RXFP1HSP90AA1HSP90AB1KMT2A
SCHEMBL3613839 0.73 MAPT (0.40) KMT2ALMNAPOLBMAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 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 (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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 METAP1 2600/4885RXFP1 20/4885HSP90AA1 4150/4885

“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.