SCHEMBL25257539

SCHEMBL25257539

CC(C)(C(=O)O)c1c(F)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
LMNA P02545 1/20 0.38
PTGFR P43088 2/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
BCHE P06276 1/20 0.37
TP53 P04637 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
SCHEMBL12585680 0.87 CES2 (0.43) GAAMAPTAKR1C3AKR1C2PDK1
SCHEMBL15501814 0.86 GAA (0.42) KDM4EGAAMAPTRAB9ANPSR1
SCHEMBL25303801 0.81 SMN1; SMN2 (0.46) GAAMAPTRAB9ANPSR1SMN1; SMN2
SCHEMBL20250030 0.80 KAT6A (0.41) KDM4EAKR1C3AKR1C2CES2CES1
SCHEMBL21632351 0.79 LMNA (0.43) KDM4EGAAMAPTRAB9ANPSR1
SCHEMBL21631949 0.79 PTGFR (0.43) KDM4EGAAMAPTRAB9ANPSR1
SCHEMBL25845186 0.79 CES2 (0.37) MAPTAKR1C3AKR1C2PDK1PDK2
SCHEMBL29009850 0.77 PDK1 (0.42) KDM4EGAAMAPTRAB9ANPSR1
SCHEMBL8489151 0.77 GAA (0.40) KDM4EGAAMAPTRAB9ANPSR1
SCHEMBL802985 0.77 GAA (0.41) GAAMAPTRAB9ANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2025-05-22 US disclosed
EP-4452964-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-30 EP disclosed
CN-118339153-A Heteroaromatic compounds for the treatment of cancer 勃林格殷格翰国际有限公司 2024-07-12 CN disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 WO disclosed
WO-2023117681-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-29 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 (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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER NRAS, KRAS, RB1 KDM4E 2708/4885GAA 2880/4885MAPT 4576/4885

“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.