SCHEMBL3495412

SCHEMBL3495412

CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)n(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
P2RX7 Q99572 1/20 0.43
BRD9 Q9H8M2 1/20 0.41
SCD O00767 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER1 P34995 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL3495383 0.73 MAPK8 (0.45) BRD4ALDH1A1LMNARECQLRAB9A
SCHEMBL8823072 0.73 ALDH1A1 (0.51) CYP2C9KMT2AALDH1A1LMNARECQL
SCHEMBL14944669 0.71 BRD4 (0.48) BRD4P2RX7SCDCYP2C9KMT2A
SCHEMBL30218479 0.71 KMT2A (0.47) CYP2C9KMT2AALDH1A1LMNARAB9A
SCHEMBL16839960 0.70 BRD4 (0.52) BRD4P2RX7SCDCYP2C9KMT2A
SCHEMBL29779736 0.70 CRHBP (0.47) BRD4P2RX7CYP2C9KMT2AL3MBTL1
SCHEMBL7965589 0.70 BRD9 (0.43) BRD4BRD9CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL17833669 0.70 BRD4 (0.58) BRD4P2RX7SCDCYP2C9KMT2A
SCHEMBL14944672 0.70 BRD4 (0.44) BRD4P2RX7SCDCYP2C9KMT2A
SCHEMBL3498181 0.69 AR (0.53) L3MBTL1TLR7ALDH1A1LMNARECQL

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC BRD4 3146/4885P2RX7 4560/4885BRD9 4279/4885

“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.