SCHEMBL5773431

SCHEMBL5773431

CSc1ccc(-c2oncc2CCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 2/20 0.37
PTGS2 P35354 2/20 0.37
ATM Q13315 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
TSHR P16473 2/20 0.36
PPARA Q07869 1/20 0.36
RXRA P19793 5/20 0.36
RXRB P28702 5/20 0.36
NR1H4 Q96RI1 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
RXRG P48443 3/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL5773233 0.86 CCNC (0.41) FFAR4FFAR1MMP12MMP13LMNA
SCHEMBL5772507 0.85 RXRA (0.50) FFAR4FFAR1LMNAATMPPARA
SCHEMBL5774948 0.83 FFAR1 (0.51) FFAR1LMNAPTGS2TSHRRXRA
SCHEMBL5774472 0.83 RXRA (0.50) FFAR1LMNAPTGS2TSHRRXRA
SCHEMBL5772923 0.82 TSHR (0.55) FFAR4FFAR1TSHRRXRARXRB
SCHEMBL5776861 0.82 PPARA (0.48) FFAR4FFAR1LMNAPTGS2ATM
SCHEMBL5773998 0.82 FFAR1 (0.46) FFAR4FFAR1LMNAPTGS2TSHR
SCHEMBL5774360 0.81 LMNA (0.57) FFAR4FFAR1LMNAPTGS2ATM
SCHEMBL5776652 0.81 SIRT2 (0.34) FFAR4FFAR1MMP12MMP13PTGS2
SCHEMBL5773578 0.80 MAPK13 (0.36) FFAR4FFAR1PTGS2HAO1PPARA

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR FFAR4 143/4885FFAR1 178/4885MMP12 3072/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885FFAR1 90/4885MMP12 3677/4885

“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.