SCHEMBL14612469

SCHEMBL14612469

CCc1cc(C)cc(C(C)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TACR1 P25103 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
GRIN2B Q13224 1/20 0.32
IDH1 O75874 1/20 0.31
PDE2A O00408 1/20 0.31
TRPA1 O75762 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL799008 0.85 IDO1 (0.41) PGK1PGK2RAPGEF4GRIN2BIDH1
SCHEMBL18643576 0.83 TACR1 (0.44) HSPA5TACR1RAPGEF4PDE2ATRPA1
SCHEMBL18266157 0.82 TACR1 (0.35) PGK1PGK2TACR1GRIN2BIDH1
SCHEMBL16703940 0.82 GRIN2B (0.34) HSPA5PGK1PGK2RAPGEF4GRIN2B
SCHEMBL23328068 0.79 PGK1 (0.48) HSPA5PGK1PGK2RAPGEF4IDH1
SCHEMBL14547588 0.79 PGK1 (0.43) HSPA5PGK1PGK2RAPGEF4GRIN2B
SCHEMBL14647825 0.79 HSPA5 (0.32) HSPA5TRPA1PDK2
SCHEMBL16129803 0.78 SIGMAR1 (0.33) HSPA5RAPGEF4PDE2A
SCHEMBL14546887 0.76 HSPA5 (0.37) HSPA5PGK1PGK2TACR1RAPGEF4
SCHEMBL271754 0.74 ALDH1A1 (0.42) PGK1PGK2RAPGEF4IDH1TRPA1

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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 HSPA5 1950/4885PGK1 3355/4885PGK2 2258/4885

“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.