SCHEMBL20272271

SCHEMBL20272271

O=C(O)C(Cc1ccccc1)N1C(=O)/C(=C\C(O)C2=CC=CCCC2)SC1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.56
▸ PTPN22 Q9Y2R2 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ DUSP3 P51452 1/20 0.53
▸ BCL2 P10415 5/20 0.52
▸ BCL2L2 Q92843 5/20 0.52
▸ BAD Q92934 5/20 0.52
▸ POLB P06746 4/20 0.52
▸ MME P08473 2/20 0.52
▸ PLA2G1B P04054 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ CTSL P07711 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ RECQL P46063 2/20 0.49

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
SCHEMBL19425501 0.73 DUSP3 (0.72) MAPTPTPN22ALDH1A1MEN1KMT2A
SCHEMBL19430434 0.73 MAPT (1.00) MAPTALDH1A1MEN1KMT2ADUSP3
SCHEMBL19425333 0.71 MAPT (0.61) MAPTPTPN22ALDH1A1MEN1KMT2A
SCHEMBL19425506 0.71 DUSP3 (0.71) MAPTPTPN22ALDH1A1MEN1KMT2A
SCHEMBL13846498 0.70 MAPT (0.87) MAPTALDH1A1MEN1KMT2ABCL2
SCHEMBL13894970 0.69 DUSP3 (0.71) MAPTPTPN22ALDH1A1MEN1KMT2A
SCHEMBL14680251 0.68 MAPT (0.78) MAPTALDH1A1MEN1KMT2ADUSP3
SCHEMBL3638794 0.68 MAPT (0.82) MAPTALDH1A1MEN1KMT2ADUSP3
SCHEMBL3638795 0.68 MAPT (0.82) MAPTALDH1A1MEN1KMT2ADUSP3
SCHEMBL19430430 0.68 MAPT (0.82) MAPTALDH1A1MEN1KMT2ADUSP3

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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — 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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 MAPT 3689/4885PTPN22 3305/4885ALDH1A1 2862/4885

“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.

Send feedback