SCHEMBL4385239

SCHEMBL4385239

O=C(O)C1(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTPN1 P18031 1/20 0.39
HSD11B1 P28845 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MITF O75030 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL29570519 0.82 CES2 (0.45) CES2CES1BCL2L1BADCA1
SCHEMBL28626237 0.80 TSHR (0.50) CES2CES1CA1CA2KDM4E
SCHEMBL10524449 0.75 CES2 (0.50) CES2CES1BCL2L1BADCA1
SCHEMBL10524470 0.73 CES2 (0.48) CES2CES1BCL2L1BADCA1
SCHEMBL29723507 0.73 CES2 (0.48) CES2CES1BCL2L1BADCA1
SCHEMBL27659143 0.73 CA1 (0.35) CES2CES1BCL2L1BADCA1
SCHEMBL3231737 0.73 ALDH1A1 (0.47) CES2CES1NPC1RAB9AMEN1
SCHEMBL28953079 0.73 MAPT (0.46) CES2CES1CA1CA2RAB9A
SCHEMBL30390084 0.72 CES2 (0.46) CES2CES1BCL2L1BADCA1
SCHEMBL5558534 0.72 AKR1C1 (0.47) CES2CES1MEN1KMT2AALDH1A1

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
CN-116802181-A Triazolopyridine compounds as kinase inhibitors 百时美施贵宝公司 2023-09-22 CN disclosed
EP-4229056-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2023-08-23 EP disclosed
WO-2022086828-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-28 WO disclosed
US-10039757-B2 C-Met modulator pharmaceutical compositions EXELIXIS, INC. (US) 2018-08-07 US disclosed
EP-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP 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-10039757-B2 C-Met modulator pharmaceutical compositions MET, HGFAC, HGF CES2 1434/4885CES1 1530/4885BCL2L1 2300/4885

“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.