SCHEMBL4086605

SCHEMBL4086605

CCOC(=O)c1c(-c2ccccc2)c2scc(-c3ccccc3)c2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.40
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4093710 0.88 TACR1 (0.40) TACR1
SCHEMBL4095896 0.67 TSHR (0.44) TACR1MAPTALDH1A1POLBTSHR
SCHEMBL4637752 0.66 CYP19A1 (0.74) MAPTALDH1A1POLBTSHRTP53
SCHEMBL6091680 0.66 PPARG (0.61)
SCHEMBL20546618 0.65 MEN1 (0.51) MAPT
SCHEMBL15497059 0.65 CYP19A1 (0.47) MAPTALDH1A1POLBTSHRATM
SCHEMBL6857727 0.65 PPARG (0.72) MAPTPOLBTP53
SCHEMBL28366046 0.65 TSHR (0.54) MAPTALDH1A1POLBTSHRATM
SCHEMBL1989200 0.65 AR (0.64) MAPTALDH1A1POLBTSHRTP53
SCHEMBL21264658 0.64 TSHR (0.41) MAPTALDH1A1POLBTSHRATM

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES TACR1 1932/4885MAPT 54/4885ALDH1A1 2718/4885

“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.