SCHEMBL4551417

SCHEMBL4551417

O=C(O)c1ccc(C(S)c2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
TSHR P16473 4/20 0.42
ALOX15 P16050 1/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NR4A2 P43354 1/20 0.42
SRD5A2 P31213 4/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ANPEP P15144 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAP4K4 O95819 1/20 0.39
IGFBP3 P17936 1/20 0.38
TRPA1 O75762 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
SCHEMBL365482 0.81 TSHR (0.44) ACP3TSHRALOX15DAONAPRT
SCHEMBL4414883 0.81 TSHR (0.43) TSHRDAONAPRTHPGDSRD5A2
SCHEMBL4541914 0.78 RXRA (0.50) TSHRRXRASRD5A2
SCHEMBL4551073 0.77 TSHR (0.68) TSHRALOX15RXRARXRBNR4A2
SCHEMBL11091138 0.71 ACP3 (0.46) ACP3CES2CES1ALDH1A1IGFBP3
Benzoic Acid SCHEMBL8953221 0.70 TSHR (0.47) ACP3TSHRALOX15DAONAPRT
SCHEMBL31521380 0.70 KMT2A (0.56) HPGDRXRARXRBNR4A2SRD5A2
SCHEMBL31521468 0.70 HTR6 (0.48) ALDH1A1
SCHEMBL11274229 0.69 ALDH1A1 (0.53) ALOX15NAPRTHPGDNR4A2ALDH1A1
SCHEMBL1750520 0.69 ANPEP (0.43) TSHRDAONAPRTHPGDSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 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 (2 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-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ACP3 1702/4885TSHR 2449/4885ALOX15 1109/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ACP3 1702/4885TSHR 2449/4885ALOX15 1109/4885

“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.