SCHEMBL5777434

SCHEMBL5777434

CCc1onc(-c2ccc(Cl)cc2)c1CCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.66
TSHR P16473 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
CYP4F2 P78329 1/20 0.50

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
SCHEMBL5772667 0.84 FFAR4 (0.65) FFAR4TSHRGPBAR1RXRARXRB
SCHEMBL10834256 0.76 RXRA (0.58) FFAR4TSHRCYP3A4CYP2C19RXRA
SCHEMBL27749854 0.73 PTGS2 (0.58) FFAR4TSHRCYP1A1CYP1A2CYP2E1
SCHEMBL5212038 0.73 RXRA (0.60) FFAR4TSHRCYP3A4CYP2C19RXRA
SCHEMBL9535705 0.72 GPBAR1 (0.48) FFAR4CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3637567 0.72 GHSR (0.51) FFAR4TSHRGPBAR1ALDH1A1MAPT
SCHEMBL8994990 0.71 PTGS2 (0.68) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL5213719 0.70 RXRA (0.54) FFAR4TSHRCYP3A4CYP2C19RXRA
SCHEMBL5208589 0.70 RXRA (0.56) TSHRCYP3A4CYP2C9CYP2C19RXRA
SCHEMBL4791287 0.70 FFAR4 (0.47) FFAR4CYP1A1CYP1A2CYP2E1CYP3A4

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 143/4885TSHR 534/4885CYP1A1 119/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 FFAR4 145/4885TSHR 583/4885CYP1A1 54/4885

“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.