SCHEMBL20272169

SCHEMBL20272169

O=C(NN1C(=O)S/C(=C/C=C/C2CCC3(CCCCCCCC3)O2)C1=O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.45
▸ KMT2A Q03164 9/20 0.45
▸ KDM4E B2RXH2 8/20 0.45
▸ MAPT P10636 7/20 0.45
▸ POLB P06746 6/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ RECQL P46063 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALPL P05186 2/20 0.45
▸ BLM P54132 2/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ HTT P42858 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPK1 P28482 5/20 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
SCHEMBL20705619 0.84 MEN1 (0.45) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL17229211 0.71 KMT2A (0.82) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL19425437 0.63 KDM4E (0.37) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL14680241 0.62 MEN1 (1.00) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL577155 0.58 PTGS1 (1.00) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL11812518 0.57 PTGS1 (0.73) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL11817658 0.57 PTGS1 (0.68) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL11806473 0.57 PTGS1 (0.68) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL6720203 0.57 MEN1 (0.85) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL15347087 0.56 MEN1 (0.79) MEN1KMT2AKDM4EMAPTPOLB

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 MEN1 3272/4885KMT2A 2775/4885KDM4E 2392/4885

“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.

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