SCHEMBL24894474

SCHEMBL24894474

COC(=O)[C@H]1C[C@@H](OC(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 2/20 0.38
MMP2 P08253 2/20 0.38
ANPEP P15144 2/20 0.38
NR1H3 Q13133 1/20 0.38
PTPN1 P18031 1/20 0.37
HTRA1 Q92743 1/20 0.36
UCHL1 P09936 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PEPD P12955 2/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
CCR2 P41597 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL29523864 1.00 P2RX3 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26560702 1.00 P2RX3 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL26569814 1.00 P2RX3 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL24894483 1.00 P2RX3 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL5161519 0.88 HTRA1 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29523629 0.88 HTRA1 (0.39) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL27152355 0.86 HSD17B10 (0.38) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL29984648 0.86 HSD17B10 (0.38) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL6857673 0.85 UCHL1 (0.46) P2RX3CYP1A2POLBCYP3A4CYP2C19
SCHEMBL10215471 0.85 UCHL1 (0.46) P2RX3CYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287100-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2024-08-29 US disclosed
CN-117980310-A Alkylene derivatives as KRAS inhibitors 尼坎治疗公司 2024-05-03 CN disclosed
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 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-20240287100-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS P2RX3 4561/4885CYP1A2 4583/4885POLB 1431/4885

“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.