SCHEMBL22962008

SCHEMBL22962008

CSc1cc(F)c(F)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
KDM4E B2RXH2 3/20 0.35
KEAP1 Q14145 2/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
NFE2L2 Q16236 1/20 0.35
ALB P02768 1/20 0.33
AKR1C2 P52895 2/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
AKR1C3 P42330 1/20 0.33
NOTUM Q6P988 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL23389797 0.78 MCL1 (0.41) MCL1AKR1C2AKR1C3NOTUMHSD17B10
SCHEMBL2823587 0.77 MCL1 (0.65) MCL1CES2CES1KDM4EASPH
SCHEMBL11775724 0.77 MCL1 (0.59) MCL1CES2CES1AKR1C2MAP2K2
SCHEMBL29800681 0.77 MCL1 (0.59) MCL1CES2CES1AKR1C2MAP2K2
SCHEMBL20079466 0.76 CES2 (0.36) CES2CES1
SCHEMBL16759605 0.75 KDM4E (0.50) CES2CES1KDM4EKEAP1ASPH
SCHEMBL1421628 0.73 CES2 (0.71) CES2CES1KDM4EKEAP1ASPH
SCHEMBL26102632 0.72 MAP2K2 (0.40) MCL1KDM4EAKR1C2MAP2K2MAP2K1
SCHEMBL935368 0.71 CA1 (0.45) CES2CES1KDM4EKEAP1ASPH
Fluoride SCHEMBL6445071 0.70 KEAP1 (0.47) CES2CES1KDM4EKEAP1ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 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 (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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 MCL1 3737/4885CES2 2578/4885CES1 2119/4885

“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.