SCHEMBL5773560

SCHEMBL5773560

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)Nc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 3/20 0.40
KDR P35968 2/20 0.40
FGFR1 P11362 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5776152 0.89 ALDH1A1 (0.55) ALDH1A1PKMHPGDTSHRL3MBTL1
SCHEMBL5770989 0.81 TSHR (0.43) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL5775672 0.80 MAPT (0.50) ALDH1A1TSHRL3MBTL1POLBMEN1
SCHEMBL5773606 0.80 MAPT (0.48) ALDH1A1TSHRL3MBTL1POLBMEN1
SCHEMBL5773332 0.79 CNR2 (0.51) L3MBTL1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL5775920 0.79 MAPT (0.51) ALDH1A1TSHRPOLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5771101 0.79 TP53 (0.46) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL5772042 0.78 HDAC1 (0.48) ALDH1A1TSHRL3MBTL1POLBMEN1
SCHEMBL5771681 0.77 TRPV1 (0.43) CYP3A4CYP2C19HTTNPSR1LMNA
SCHEMBL5776288 0.77 PKM (0.49) ALDH1A1PKMHPGDTSHRPOLB

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 ALDH1A1 1045/4885PKM 2534/4885HPGD 1588/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885PKM 1824/4885HPGD 1307/4885

“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.