SCHEMBL18751651

SCHEMBL18751651

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1C[C@@H](C)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.63
▸ KMT2A Q03164 8/20 0.63
▸ THRB P10828 7/20 0.63
▸ BLM P54132 6/20 0.63
▸ TOP2A P11388 5/20 0.63
▸ RECQL P46063 5/20 0.63
▸ TDP1 Q9NUW8 5/20 0.63
▸ HIF1A Q16665 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ BRCA1 P38398 4/20 0.63
▸ HTT P42858 4/20 0.63
▸ PTGS1 P23219 3/20 0.63
▸ CHRM1 P11229 3/20 0.63
▸ TBXA2R P21731 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ ABCB1 P08183 3/20 0.63
▸ FYN P06241 2/20 0.63

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
SCHEMBL1103790 0.91 MEN1 (0.67) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL14706187 0.90 MEN1 (0.73) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL14703485 0.90 MEN1 (0.73) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL18751205 0.90 MEN1 (0.73) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17897684 0.89 MEN1 (0.76) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL330074 0.89 MEN1 (0.76) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL17897710 0.89 MEN1 (0.76) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL15304012 0.89 MEN1 (0.76) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL18751650 0.87 CHN2 (0.60) MEN1KMT2ATHRBBLMTOP2A
SCHEMBL10452484 0.86 MEN1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300070-B2 Metabolically-activated drug conjugates to overcome resistance in cancer therapy THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2019-05-28 — — US disclosed
US-20170105998-A1 METABOLICALLY-ACTIVATED DRUG CONJUGATES TO OVERCOME RESISTANCE IN CANCER THERAPY THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-04-20 — — US disclosed
US-20170105998-A1 METABOLICALLY-ACTIVATED DRUG CONJUGATES TO OVERCOME RESISTANCE IN CANCER THERAPY THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-04-20 — — 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 (2 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-10300070-B2 Metabolically-activated drug conjugates to overcome resistance in cancer therapy GOT2, GOT1, PCK2 MEN1 2380/4885KMT2A 644/4885THRB 1025/4885
US-20170105998-A1 METABOLICALLY-ACTIVATED DRUG CONJUGATES TO OVERCOME RESISTANCE IN CANCER THERAPY GOT2, GOT1, PCK2 MEN1 2380/4885KMT2A 644/4885THRB 1025/4885

“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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