SCHEMBL3498083

SCHEMBL3498083

COC(=O)[C@H](Cc1ccc(OCc2ccsc2)cc1)NC(=O)c1oc2cc(-c3ccc(Cl)cc3)ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CDK2 P24941 4/20 0.43
GPR34 Q9UPC5 3/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL13344478 0.93 KMT2A (0.52) KMT2AGPR34MAOAMAOBACHE
SCHEMBL3500353 0.93 KMT2A (0.52) KMT2AGPR34MAOAMAOBACHE
SCHEMBL3498698 0.89 GPR34 (0.54) KMT2ACDK2GPR34MAOAMAOB
SCHEMBL3499082 0.89 GPR34 (0.54) KMT2ACDK2GPR34MAOAMAOB
SCHEMBL3498602 0.88 KMT2A (0.46) KMT2ACDK2GPR34MAOAMAOB
SCHEMBL3498606 0.88 KMT2A (0.46) KMT2ACDK2GPR34MAOAMAOB
SCHEMBL3497794 0.87 KMT2A (0.44) KMT2ACDK2GPR34HDAC1HDAC6
SCHEMBL5268802 0.83 GPR34 (0.54) KMT2ACDK2GPR34PPARGMMP13
SCHEMBL3504494 0.83 CAPN1 (0.49) KMT2ACDK2HDAC1HDAC6MEN1
SCHEMBL3504496 0.83 CAPN1 (0.49) KMT2ACDK2HDAC1HDAC6MEN1

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 KMT2A 2910/4885CDK2 2075/4885GPR34 1/4885

“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.