SCHEMBL18751650

SCHEMBL18751650

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)n1ccnc1)CC3OC1C[C@@H](C)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHN2 P52757 1/20 0.60
▸ PRKCD Q05655 1/20 0.60
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ THRB P10828 8/20 0.52
▸ HTT P42858 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ABCC4 O15439 2/20 0.52
▸ ABCC2 Q92887 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ BLM P54132 7/20 0.48
▸ RECQL P46063 6/20 0.48
▸ TOP2A P11388 5/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ HIF1A Q16665 5/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ BRCA1 P38398 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 4/20 0.48

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
SCHEMBL18768763 0.88 CHN2 (0.62) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL18751651 0.87 MEN1 (0.63) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL22275557 0.78 MEN1 (0.74) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL1103790 0.78 MEN1 (0.67) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL17897683 0.77 MEN1 (0.66) MEN1KMT2ATHRBHTTLMNA
SCHEMBL330074 0.77 MEN1 (0.76) MEN1KMT2ATHRBHTTLMNA
SCHEMBL15304012 0.77 MEN1 (0.76) MEN1KMT2ATHRBHTTLMNA
SCHEMBL17897710 0.77 MEN1 (0.76) MEN1KMT2ATHRBHTTLMNA
SCHEMBL17897684 0.77 MEN1 (0.76) MEN1KMT2ATHRBHTTLMNA
SCHEMBL18751205 0.77 MEN1 (0.73) CHN2PRKCDMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170105998-A1 METABOLICALLY-ACTIVATED DRUG CONJUGATES TO OVERCOME RESISTANCE IN CANCER THERAPY GOT2, GOT1, PCK2 CHN2 4221/4885PRKCD 2959/4885MEN1 2380/4885

“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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