SCHEMBL4414883

SCHEMBL4414883

O=C(O)c1ccc(C(S)c2ccccc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
DAO P14920 1/20 0.43
SRD5A2 P31213 4/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ANPEP P15144 1/20 0.42
TP53 P04637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL6535234 0.83 GABRA1 (0.48) TSHRCA12CA2CA4CA14
SCHEMBL4551417 0.81 ACP3 (0.42) TSHRNAPRTDAOSRD5A2CES2
SCHEMBL4541914 0.79 RXRA (0.50) TSHRSRD5A2CA12CA1CA2
SCHEMBL4551073 0.71 TSHR (0.68) TSHRSRD5A2CES2CES1ANPEP
SCHEMBL11274229 0.71 ALDH1A1 (0.53) NAPRTCA12CA1CA2CA4
SCHEMBL1750520 0.70 ANPEP (0.43) TSHRNAPRTDAOSRD5A2CES2
Benzoic Acid SCHEMBL7669891 0.70 TSHR (0.78) TSHRNAPRTDAOSRD5A2CES2
Benzoic Acid SCHEMBL2019528 0.70 TSHR (0.78) TSHRNAPRTDAOSRD5A2CES2
Benzoic Acid SCHEMBL23122358 0.70 NAPRT (0.61) TSHRNAPRTDAOSRD5A2CES2
SCHEMBL22472195 0.69 TSHR (0.59) TSHRNAPRTDAOSRD5A2CES2

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
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
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-9873667-B2 Arylsulfanyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES INC. (US) 2018-01-23 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 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 (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 TSHR 2449/4885NAPRT 630/4885DAO 3759/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS TSHR 2449/4885NAPRT 630/4885DAO 3759/4885

“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.