SCHEMBL18705346

SCHEMBL18705346

O=C(O)COc1cc(OCC(=O)O)cc(-c2cc(OCC(=O)O)cc(C(=O)NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
PKM P14618 3/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CAMK2B Q13554 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 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
SCHEMBL18736244 0.97 TDP1 (0.56) TDP1PKMMEN1ABL1LMNA
SCHEMBL18736525 0.95 ADORA2A (0.53) TDP1PKMMEN1ABL1LMNA
SCHEMBL23125939 0.92 TDP1 (0.51) TDP1PKMMEN1ABL1LMNA
SCHEMBL18736240 0.91 FOLH1 (0.58) TDP1PKMMEN1ABL1LMNA
SCHEMBL20519904 0.91 FOLH1 (0.59) TDP1PKMCSNK2A2CSNK2BCSNK2A1
SCHEMBL18705344 0.90 CSNK2A2 (0.57) PKMCSNK2A2CSNK2BCSNK2A1CAMK2B
SCHEMBL18736360 0.89 TDP1 (0.48) TDP1PKMCA12CA1CA2
SCHEMBL18736482 0.89 GIGYF2 (0.53) TDP1PKMMEN1ABL1LMNA
SCHEMBL18705313 0.88 TDP1 (0.56) TDP1PKMMEN1ABL1LMNA
SCHEMBL24067621 0.88 ADORA2A (0.51) TDP1PKMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 US disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 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 (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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 TDP1 2823/4885PKM 2743/4885MEN1 907/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 TDP1 2823/4885PKM 2743/4885MEN1 907/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 TDP1 2823/4885PKM 2743/4885MEN1 907/4885

“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.