SCHEMBL23797358

SCHEMBL23797358

COC(=O)C1(C)CC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
EPHX1 P07099 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 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
SCHEMBL24145961 0.84 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL2420832 0.83 USP2 (0.49) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL4287443 0.81 USP2 (0.50) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL27302819 0.81 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL3498315 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL5896147 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL31669897 0.79 USP2 (0.37) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL31693653 0.79 GPR119 (0.46) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL29207322 0.78 HDAC2 (0.39) USP2SMN1; SMN2EPHX2EPHX1PKM
SCHEMBL30849782 0.78 HDAC2 (0.39) USP2SMN1; SMN2EPHX2EPHX1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 USP2 2060/4885SMN1; SMN2 4336/4885EPHX2 2722/4885

“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.