SCHEMBL10154041

SCHEMBL10154041

CNS(=O)(=O)CCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
PTGES2 Q9H7Z7 3/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
AOC3 Q16853 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10154287 0.82 KMT2A (0.49) TAAR1PTGES2ALDH1A1CA12CA1
SCHEMBL5321195 0.81 TAAR1 (0.52) TAAR1PTGES2ALDH1A1CA12CA1
SCHEMBL18249745 0.81 TMEM97 (0.52) TAAR1ALDH1A1CA1CA2HPGD
SCHEMBL1275321 0.81 RECQL (0.58) PTGES2ALDH1A1CA12CA1CA2
SCHEMBL10153979 0.80 KMT2A (0.53) TAAR1CA12CA1CA2L3MBTL1
SCHEMBL6793104 0.80 IDO1 (0.59) TAAR1PTGES2ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL4731092 0.79 RECQL (0.61) PTGES2ALDH1A1CA12CA1CA2
SCHEMBL10154099 0.79 TAAR1 (0.57) TAAR1PTGES2L3MBTL1IDO1
SCHEMBL6460105 0.78 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA4
SCHEMBL1275070 0.78 HPGD (0.42) PTGES2ALDH1A1CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA TAAR1 2247/4885PTGES2 208/4885FFAR1 1037/4885

“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.