SCHEMBL24378121

SCHEMBL24378121

COC(=O)c1ccc2c(c1)OC(C(N)=O)CN2C(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.53
SIRT3 Q9NTG7 1/20 0.48
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SIRT2 Q8IXJ6 3/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29516225 1.00 SIRT1 (0.53) SIRT1SIRT3KMT2AMEN1SIRT2
SCHEMBL26938732 0.91 SIRT1 (0.43) SIRT1SIRT3KMT2AMEN1KDM4E
SCHEMBL29516494 0.91 SIRT1 (0.56) SIRT1SIRT3KMT2AMEN1SIRT2
SCHEMBL24378126 0.91 SIRT1 (0.56) SIRT1SIRT3KMT2AMEN1SIRT2
SCHEMBL26938738 0.82 SIRT1 (0.46) SIRT1SIRT3KMT2AMEN1NPC1
SCHEMBL24378139 0.82 SIRT1 (0.48) SIRT1SIRT3KMT2AMEN1SIRT2
SCHEMBL24378120 0.80 SIRT1 (0.47) SIRT1SIRT3KMT2AMEN1SIRT2
SCHEMBL24378118 0.78 SIRT1 (0.65) SIRT1SIRT3SIRT2TDP1
SCHEMBL24378125 0.78 SIRT1 (0.65) SIRT1SIRT3SIRT2TDP1
SCHEMBL26938829 0.78 SIRT1 (0.65) SIRT1SIRT3SIRT2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-03-10 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
CN-116323571-A Covalent inhibitors of Creatine Kinase (CK) and their use for the treatment and prevention of cancer 丹娜法伯癌症研究院 2023-06-23 CN disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO 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-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer CSNK1A1L, CKMT1A; CKMT1B, KHK SIRT1 1935/4885SIRT3 653/4885KMT2A 476/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 SIRT1 935/4885SIRT3 493/4885KMT2A 464/4885

“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.