SCHEMBL24752001

SCHEMBL24752001

CNC(C)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
ALDH1A1 P00352 1/20 0.36
GPR88 Q9GZN0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA14 Q9ULX7 3/20 0.34
CA1 P00915 3/20 0.33
CA7 P43166 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CA12 O43570 2/20 0.31
APLNR P35414 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL13645919 0.84 CTSK (0.40) CTSKGPR88CHRNB2CHRNB4CHRNA3
SCHEMBL25697742 0.83 HDAC6 (0.36) CTSKALDH1A1CA14CA1CA7
SCHEMBL20715722 0.83 HDAC6 (0.36) CTSKALDH1A1CA14CA1CA7
SCHEMBL17144567 0.83 HDAC6 (0.36) CTSKALDH1A1CA14CA1CA7
SCHEMBL16941095 0.82 CTSK (0.39) CTSKALDH1A1GPR88CHRNB2CHRNB4
SCHEMBL3711368 0.81 CTSK (0.38) CTSKGPR88CHRNB2CHRNB4CHRNA3
SCHEMBL25918858 0.81 CTSK (0.37) CTSKGPR88CHRNB2CHRNB4CHRNA3
SCHEMBL19695796 0.80 CTSK (0.38) CTSKGPR88CHRNB2CHRNB4CHRNA3
SCHEMBL24764190 0.80 CTSK (0.36) CTSKGPR88CHRNB2CHRNB4CHRNA3
SCHEMBL2917271 0.79 HDAC6 (0.39) CTSKGPR88CHRNB2CHRNB4CHRNA3

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-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-11661431-B2 Thienopyrrole compounds GILEAD SCIENCES, INC. (US) 2023-05-30 US disclosed
US-20220389034-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2022-12-08 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 (3 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-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 CTSK 2023/4885ALDH1A1 2343/4885GPR88 3163/4885
US-11661431-B2 Thienopyrrole compounds SSB, TPMT, LCP2 CTSK 2023/4885ALDH1A1 2343/4885GPR88 3163/4885
US-20220389034-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 CTSK 2023/4885ALDH1A1 2343/4885GPR88 3163/4885

“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.