SCHEMBL1489401

SCHEMBL1489401

O=S(=O)(Cl)c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
SCN9A Q15858 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SCN5A Q14524 1/20 0.35
PTPRZ1 P23471 1/20 0.34
PTGS2 P35354 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
NOD1 Q9Y239 1/20 0.34
FBP1 P09467 1/20 0.33
NAMPT P43490 1/20 0.33
MAPK1 P28482 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
SCHEMBL11683700 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTDP1FFAR4
SCHEMBL27245282 0.83 TRPV1 (0.67) TRPV1HSD17B10TSHRMAPK1
SCHEMBL65853 0.82 FFAR4 (0.49) ALDH1A1HSD17B10TDP1FFAR4PTGS2
SCHEMBL14882398 0.81 TSHR (0.44) TRPV1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL14875133 0.81 TRPV1 (0.40) TRPV1ALDH1A1HSD17B10TSHRTDP1
Ammonia Solution, Strong SCHEMBL26923048 0.81 FFAR4 (0.47) ALDH1A1HSD17B10TDP1FFAR4PTGS2
SCHEMBL14875134 0.80 TSHR (0.42) TRPV1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL14419971 0.80 FFAR4 (0.44) TRPV1ALDH1A1HSD17B10TSHRPTGES2
SCHEMBL6426425 0.80 PIM1 (0.41) ALDH1A1HSD17B10TDP1PTGES2SCN9A
SCHEMBL1907911 0.79 ALDH1A1 (0.48) TRPV1ALDH1A1HSD17B10TSHRPTGES2

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-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 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-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 TRPV1 55/4885ALDH1A1 1541/4885HSD17B10 2117/4885

“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.