SCHEMBL13061970

SCHEMBL13061970

CCC(=O)Cc1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
MAPK8 P45983 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 2/20 0.42
SIGMAR1 Q99720 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PKM P14618 1/20 0.39
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL6858298 0.88 CES2 (0.48) RIPK1MAPK8CES2CES1MAPT
SCHEMBL23869529 0.85 RIPK1 (0.48) RIPK1MAPK8CES2CES1MAPT
SCHEMBL27884951 0.84 ANO1 (0.43) RIPK1MAPTPKM
SCHEMBL14263434 0.81 RIPK1 (0.47) RIPK1MAPK8CES2CES1MAPT
SCHEMBL6685745 0.80 MAPK8 (0.43) RIPK1MAPK8CES2CES1MAPT
SCHEMBL5567382 0.79 MAPT (0.42) RIPK1MAPK8MAPTSMN1; SMN2MMP2
SCHEMBL10054137 0.79 HDAC1 (0.38) RIPK1DPP4MMP2MMP12MMP1
SCHEMBL503667 0.79 TSHR (0.53) RIPK1MAPK8CES2CES1SIGMAR1
SCHEMBL29471363 0.79 TSHR (0.53) RIPK1MAPK8CES2CES1SIGMAR1
SCHEMBL28061383 0.79 CES2 (0.47) RIPK1MAPK8CES2CES1MAPT

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-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 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-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB RIPK1 4670/4885MAPK8 4182/4885CES2 266/4885

“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.