SCHEMBL21023979

SCHEMBL21023979

COC(=O)C(C)NP(=O)(Cl)Oc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.36

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
SCHEMBL12621322 1.00 BTN3A1 (0.41) BTN3A1MEN1KMT2ALMNAHTT
SCHEMBL14627743 0.90 SMN1; SMN2 (0.42) BTN3A1MEN1KMT2AHTTHPGD
SCHEMBL1274199 0.89 BTN3A1 (0.43) BTN3A1MEN1KMT2ALMNAHTT
SCHEMBL14596594 0.88 MEN1 (0.43) BTN3A1MEN1KMT2ALMNANPSR1
SCHEMBL29787448 0.88 MEN1 (0.43) BTN3A1MEN1KMT2ALMNANPSR1
SCHEMBL1273013 0.87 BTN3A1 (0.45) BTN3A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL13242487 0.87 ALDH1A1 (0.42) BTN3A1MEN1KMT2ALMNAHPGD
SCHEMBL12248659 0.87 ALDH1A1 (0.42) BTN3A1MEN1KMT2ALMNAHPGD
SCHEMBL12621315 0.87 TSHR (0.44) BTN3A1MEN1KMT2AHPGDALDH1A1
SCHEMBL19206507 0.87 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1CYP1A2

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-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-18 US disclosed
EP-3486251-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2019-05-22 EP 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-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER ABL1, FLT3, SRC BTN3A1 4117/4885MEN1 1705/4885KMT2A 1351/4885

“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.