SCHEMBL24387802

SCHEMBL24387802

C=C(CC(=O)OCc1ccc(OC)cc1)C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.39
MIF P14174 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL24387360 0.93 ALDH1A1 (0.43) ALDH1A1KMT2AGAAHTTNPC1
SCHEMBL24387263 0.91 ALDH1A1 (0.43) ALDH1A1KMT2AGAAHTTNPC1
SCHEMBL6430060 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AGAAHTTNPC1
SCHEMBL24397832 0.88 NPC1 (0.39) ALDH1A1KMT2ANPC1POLBRAB9A
SCHEMBL2575791 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AGAAHTTNPC1
SCHEMBL4896275 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4893580 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL26958092 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AGAAHTTNPC1
SCHEMBL24387362 0.82 NPC1 (0.36) ALDH1A1HTTNPC1POLBRAB9A
SCHEMBL2578163 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AGAAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359390-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS Sitryx Therapeutics Limited (GB) 2024-05-01 EP disclosed
EP-4330231-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION Sitryx Therapeutics Limited (GB) 2024-03-06 EP disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230381132-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
US-20230381132-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
EP-4237408-A1 ITACONIC ACID DERIVATIVES Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
EP-4237402-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
WO-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 WO disclosed
WO-2022269251-A1 ACRYLAMIDE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS SITRYX THERAPEUTICS LIMITED (GB) 2022-12-29 WO disclosed
WO-2022229617-A1 2-METHYLENE-4-OXO-BUTANOIC ACID DRIVATIVES FOR THE TREATMENT OF INFLAMMATION SITRYX THERAPEUTICS LIMITED (GB) 2022-11-03 WO disclosed
WO-2022090714-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090714-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 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-20230381132-A1 NOVEL COMPOUNDS CNKSR1, RORC, RCOR3 ALDH1A1 311/4885KMT2A 3095/4885GAA 3426/4885
US-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 ALDH1A1 28/4885KMT2A 3154/4885GAA 1434/4885

“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.