SCHEMBL13061948

SCHEMBL13061948

CCC(C)(C)C(=O)Cc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.60
CNR2 P34972 2/20 0.41
ANO1 Q5XXA6 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
TSHR P16473 1/20 0.38
MAPK8 P45983 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13012097 0.84 RIPK1 (0.49) RIPK1CNR2ANO1CA12CA1
SCHEMBL13061955 0.81 CTBP2 (0.47) RIPK1CNR2KCNJ6KCNJ5KCNJ3
SCHEMBL28269575 0.77 CES1 (0.55) RIPK1CA12CA1CA2CA9
SCHEMBL17882259 0.76 RIPK1 (1.00) RIPK1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL29912603 0.76 RIPK1 (1.00) RIPK1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL6963978 0.75 CA12 (0.46) RIPK1CA12CA1CA2CA9
SCHEMBL18620834 0.74 RIPK1 (0.46) RIPK1CNR2CA12CA1CA2
SCHEMBL1538109 0.74 CES1 (0.57) RIPK1TSHRALDH1A1NPC1RAB9A
SCHEMBL1699412 0.74 L3MBTL1 (0.49) RIPK1CA12CA1CA2CA9
SCHEMBL29577851 0.74 L3MBTL1 (0.49) RIPK1CA12CA1CA2CA9

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 4670/4885CNR2 4515/4885ANO1 1967/4885

“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.