SCHEMBL21176803

SCHEMBL21176803

O=P(O)(O)ON(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SRC P12931 2/20 0.46
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CFTR P13569 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 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
Aniline SCHEMBL9347211 0.90 TSHR (0.41) MEN1HTTKMT2ASRCCA2
SCHEMBL28255751 0.84 MEN1 (0.42) MEN1HTTKMT2ASRCCA2
SCHEMBL31297134 0.81 CA2 (0.46) MEN1HTTKMT2ASRCCA2
SCHEMBL28672425 0.78 MEN1 (0.45) MEN1HTTKMT2ASRCCA2
SCHEMBL2854023 0.78 HTT (0.56) MEN1HTTKMT2ASRCCA2
SCHEMBL11882378 0.77 MEN1 (0.43) MEN1HTTKMT2ASRCCA2
SCHEMBL29054216 0.76 MEN1 (0.46) MEN1HTTKMT2ACA2CA4
SCHEMBL2855667 0.74 MEN1 (0.45) MEN1HTTKMT2ASRCALDH1A1
SCHEMBL28485352 0.74 MEN1 (0.41) MEN1HTTKMT2ASRCCA2
SCHEMBL27552822 0.74 MEN1 (0.41) MEN1HTTKMT2ASRCCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024077650-A1 SALT FORM OF COMPOUND HAVING SUBSTITUTED SULFONYLUREA RING AND CRYSTAL FORM THEREOF 苏州二叶制药有限公司 2024-04-18 WO disclosed
CN-116507337-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-07-28 CN disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
CN-113975396-B Pharmaceutical composition containing beta-lactam compound and application thereof 中国医学科学院医药生物技术研究所 2022-11-29 CN disclosed
WO-2022037649-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-02-24 WO disclosed
CN-113939300-A STAT degradants and uses thereof 凯麦拉医疗公司 2022-01-14 CN disclosed
CN-109826007-B Halogen-free flame retardant emulsified dispersion liquid 浙江工业职业技术学院 2021-09-03 CN disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
CN-105612166-A Water-soluble o-carbonyl phosphoramidate prodrugs for therapeutic administration MICURX PHARMACEUTICALS INC 2016-05-25 CN 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-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN MEN1 785/4885HTT 1747/4885KMT2A 1636/4885

“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.