SCHEMBL26466558

SCHEMBL26466558

C=CCC1C(=O)CC[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
CTRC Q99895 2/20 0.39
F2 P00734 1/20 0.39
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
HTR1A P08908 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL10939581 1.00 PRSS1 (0.39) PRSS1CTRCF2AKR1C4AKR1C3
SCHEMBL14503064 0.89 PRSS1 (0.40) PRSS1CTRCF2AKR1C4AKR1C3
SCHEMBL2948165 0.77 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2
SCHEMBL2420552 0.77 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2
SCHEMBL9445799 0.77 PRSS1 (0.33) PRSS1CTRCF2
SCHEMBL10941968 0.77 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2
SCHEMBL3146565 0.75 PRSS1 (0.33) PRSS1CTRCF2ELANECTSG
SCHEMBL9842994 0.74
SCHEMBL6910431 0.72
SCHEMBL10549716 0.72 PRSS1 (0.35) PRSS1CTRCF2HTR1AALDH1A1

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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 PRSS1 688/4885CTRC 2538/4885F2 1622/4885

“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.