SCHEMBL21157398

SCHEMBL21157398

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C12CC3CC(CC(F)(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
DPP8 Q6V1X1 5/20 0.33
DPP9 Q86TI2 5/20 0.33
DPP4 P27487 2/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL21157397 0.89 KMT2A (0.39) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL21157406 0.89 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL21157400 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL21746351 0.84 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL31528782 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL14899591 0.78 DPP4 (0.36) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL21157404 0.78 KMT2A (0.34) KMT2AMEN1MAPK1HDAC4HDAC1
SCHEMBL21156214 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPK1HDAC4
SCHEMBL25836420 0.77 ELANE (0.39) DPP8DPP9DPP4FAPDPP7
SCHEMBL17598284 0.77 DPP4 (0.62) DPP8DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090919-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE PITON THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed
WO-2025090920-A1 COMPOSITIONS AND METHODS FOR TREATING DYSFUNCTION OF GLUCOSE METABOLISM AND/OR REGULATION PITON THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2023-10-05 US disclosed
US-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 US disclosed
US-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO AVACTA LIFE SCIENCES, LIMITED (GB) 2021-11-18 US disclosed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 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 (5 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-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO CD47, VCAM1, CD44 ALDH1A1 1284/4885KMT2A 2451/4885MEN1 3526/4885
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO ALDH1A1 2403/4885KMT2A 1719/4885MEN1 2512/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 ALDH1A1 1198/4885KMT2A 3963/4885MEN1 3338/4885
US-20230312571-A1 RING-MODIFIED PROLINE SHORT PEPTIDE COMPOUND AND USE THEREOF VIP, PREP, PRAP1 ALDH1A1 4348/4885KMT2A 3623/4885MEN1 1707/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 ALDH1A1 2261/4885KMT2A 1488/4885MEN1 2401/4885

“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.