SCHEMBL16144564

SCHEMBL16144564

CNc1ccc(COC(=O)N[C@H]2C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3c(OC)cccc3C5=O)O[C@@H](C)[C@H]2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.70
▸ KMT2A Q03164 8/20 0.70
▸ THRB P10828 7/20 0.70
▸ BLM P54132 6/20 0.70
▸ TOP2A P11388 5/20 0.70
▸ RECQL P46063 5/20 0.70
▸ TDP1 Q9NUW8 5/20 0.70
▸ HIF1A Q16665 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ BRCA1 P38398 4/20 0.70
▸ HTT P42858 4/20 0.70
▸ PTGS1 P23219 3/20 0.70
▸ CHRM1 P11229 3/20 0.70
▸ TBXA2R P21731 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ MAPT P10636 3/20 0.70
▸ MAPK1 P28482 3/20 0.70
▸ ABCB1 P08183 3/20 0.70
▸ FYN P06241 2/20 0.70

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
SCHEMBL2623847 1.00 MEN1 (0.70) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2623850 1.00 MEN1 (0.70) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2632461 0.94 MEN1 (0.71) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17775538 0.94 MEN1 (0.71) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL22430759 0.94 MEN1 (0.73) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL16144207 0.94 MEN1 (0.68) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL20081214 0.94 MEN1 (0.68) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL2623852 0.94 MEN1 (0.72) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL24341972 0.92 MEN1 (0.65) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17775622 0.91 MEN1 (0.64) MEN1KMT2ATHRBBLMTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143937-A1 METHODS OF USING CLEAVABLE DRUG CONJUGATES AND COMPOSITIONS THEREOF Nguyen, Mark Quang (US) 2016-05-26 — — US disclosed
US-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2016-05-12 — — US disclosed
US-9295731-B2 Cleavable drug conjugates, compositions thereof and methods of use Nguyen, Mark Quang (US) 2016-03-29 — — US disclosed
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE Nguyen, Mark Quang (US) 2014-10-02 — — 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-20160129027-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR MEN1 681/4885KMT2A 2629/4885THRB 3951/4885
US-20140294851-A1 CLEAVABLE DRUG CONJUGATES, COMPOSITIONS THEREOF AND METHODS OF USE PAICS, FOLH1, DHFR MEN1 681/4885KMT2A 2629/4885THRB 3951/4885
US-20160143937-A1 METHODS OF USING CLEAVABLE DRUG CONJUGATES AND COMPOSITIONS THEREOF SI, PAICS, FURIN MEN1 845/4885KMT2A 2706/4885THRB 3806/4885

“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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