SCHEMBL4011283

SCHEMBL4011283

O=C(O)c1conc1-c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
SCN9A Q15858 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 1/20 0.41
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12501765 0.90 SCN9A (0.48) TSHRALDH1A1GAALMNASCN9A
SCHEMBL3175162 0.82 GPBAR1 (0.60) TSHRALDH1A1MAPTLMNAGPBAR1
SCHEMBL13960955 0.80 MYC (0.49) TSHRALDH1A1LMNAPTGS2POLB
SCHEMBL19900356 0.76 ALDH1A1 (0.48) TSHRALDH1A1GAAMAPTLMNA
SCHEMBL2929499 0.75 CDH1 (0.46) TSHRALDH1A1GAALMNAGPBAR1
SCHEMBL27934992 0.74 PTGS2 (0.43) TSHRALDH1A1GAALMNAPTGS2
SCHEMBL12501878 0.73 TP53 (0.50) TSHRALDH1A1GPBAR1POLBHSD17B10
SCHEMBL27753405 0.72 ACMSD (0.50) ALDH1A1
SCHEMBL10905308 0.72 TSHR (0.68) TSHRALDH1A1MAPTLMNAPTGS2
SCHEMBL2280232 0.70 AKR1C2 (0.47) TSHRALDH1A1MAPTGPBAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US claimed
CN-110177783-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2019-08-27 CN disclosed
EP-2668183-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
WO-2012101263-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMBH (DE) 2012-08-02 WO disclosed
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 TSHR 180/4885ALDH1A1 968/4885GAA 3871/4885

“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.