SCHEMBL24239347

SCHEMBL24239347

O=COCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
NPSR1 Q6W5P4 1/20 0.49
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 3/20 0.46
P2RX1 P51575 1/20 0.46
ACHE P22303 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL5369280 0.81 CES2 (0.59) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL29200055 0.81 PTPN1 (0.56) CES2SRD5A2ALDH1A1MAPT
SCHEMBL7336597 0.80 CES2 (0.57) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL29953080 0.80 CES2 (0.61) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL4974507 0.80 CES2 (0.61) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL27343169 0.79 CES2 (0.56) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL30758861 0.79 CES2 (0.69) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL1712437 0.77 CES2 (0.67) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL2073691 0.77 ACHE (0.72) CES2NPSR1CTNNB1WNT3ASRD5A2
SCHEMBL2543135 0.77 CES2 (0.53) CES2NPSR1CTNNB1WNT3ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 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 (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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS CES2 4215/4885NPSR1 4800/4885CTNNB1 1184/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS CES2 4215/4885NPSR1 4800/4885CTNNB1 1184/4885

“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.