SCHEMBL20077147

SCHEMBL20077147

COC(=O)c1ccc(SSc2ccc(C(=O)OC)c(Cl)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
PDK2 Q15119 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK4 Q16654 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 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
SCHEMBL3139456 0.88 KDM4E (0.50) ABL1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL3813462 0.85 ABL1 (0.40) ABL1PDK2CA12CA1CA2
SCHEMBL17142579 0.83 ABL1 (0.47) ABL1PDK2CA12CA1CA2
SCHEMBL16953946 0.80 ABL1 (0.50) ABL1PDK2CA12CA1CA2
SCHEMBL608814 0.79 ABL1 (0.68) ABL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2884923 0.79 PDK2 (0.57) ABL1PDK2CA12CA1CA2
SCHEMBL1017775 0.79 ABL1 (0.40) ABL1PDK2CA12CA1CA2
SCHEMBL1251398 0.79 ABL1 (0.40) ABL1PDK2CA12CA1CA2
SCHEMBL1017776 0.79 ABL1 (0.40) ABL1PDK2CA12CA1CA2
SCHEMBL1019057 0.79 ABL1 (0.40) ABL1PDK2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 US disclosed
WO-2018068296-A1 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
WO-2018071315-A2 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO 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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 ABL1 3760/4885PDK2 1608/4885CA12 4881/4885

“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.