SCHEMBL13061955

SCHEMBL13061955

CCC(C)(C)C(=O)Cc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
KCNJ5 P48544 2/20 0.47
KCNJ3 P48549 2/20 0.47
KCNJ6 P48051 1/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SHBG P04278 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RIPK1 Q13546 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8446184 0.85 ALDH1A1 (0.50) CTBP2KCNJ5KCNJ3KCNJ6PKM
SCHEMBL13061948 0.81 RIPK1 (0.60) KCNJ5KCNJ3KCNJ6NPC1RAB9A
SCHEMBL8676604 0.78 CES1 (0.55) CTBP2KCNJ5KCNJ3KCNJ6PKM
SCHEMBL6960850 0.77 CTBP2 (0.56) CTBP2KCNJ5KCNJ3PKMNPC1
SCHEMBL9208767 0.76 RAB9A (0.46) CTBP2KCNJ5KCNJ3KCNJ6LMNA
SCHEMBL7150897 0.76 CTBP2 (0.51) CTBP2KCNJ5KCNJ3KCNJ6PKM
SCHEMBL1538109 0.76 CES1 (0.57) CTBP2NPC1RAB9AALDH1A1RIPK1
SCHEMBL265672 0.75 CTBP2 (0.55) CTBP2KCNJ5KCNJ3KCNJ6PKM
SCHEMBL5529639 0.75 RIPK1 (0.70) LMNAPOLBNPC1RAB9AALDH1A1
SCHEMBL31365969 0.74 CTBP2 (0.58) CTBP2KCNJ5KCNJ3PKMPOLB

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 CTBP2 3407/4885KCNJ5 2625/4885KCNJ3 2839/4885

“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.