SCHEMBL4092409

SCHEMBL4092409

CCOC(=O)c1cc2scc(N3CCCC3=O)c2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA1 P30542 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APP P05067 1/20 0.34
USP2 O75604 3/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
TACR1 P25103 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4101195 0.87 CYP3A4 (0.35) TSHRALDH1A1USP2CYP3A4CYP2D6
SCHEMBL4095896 0.80 TSHR (0.44) TSHRALDH1A1MAPTPOLBATM
SCHEMBL1843409 0.62 MAPT (0.50) TSHRALDH1A1MAPTNPSR1LMNA
SCHEMBL23853775 0.62 ALDH1A1 (0.44) TSHRALDH1A1MAPTPOLBATM
SCHEMBL5853141 0.61 CFTR (0.41) TSHRMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL1996172 0.61 CA12 (0.56) ALDH1A1MAPTLMNACYP3A4MEN1
SCHEMBL1280809 0.60 HSD17B10 (0.54) TSHRALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2077603 0.60 L3MBTL1 (0.59) ALDH1A1MAPTPOLBRAB9ANPSR1
SCHEMBL7196183 0.60 SRD5A1 (0.43) TSHRALDH1A1MAPTPOLBATM
SCHEMBL9731689 0.60 LMNA (0.46) TSHRALDH1A1RAB9ALMNASMN1; SMN2

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 TSHR 560/4885ALDH1A1 2718/4885MAPT 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.