SCHEMBL4551073

SCHEMBL4551073

O=C(O)c1ccc(C(S)c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
ALOX15 P16050 1/20 0.68
SRD5A2 P31213 3/20 0.61
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.48
ANPEP P15144 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NR4A1 P22736 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
4-Chloro-Benzoic Acid SCHEMBL28384 0.82 TSHR (1.00) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL1331727 0.82 TSHR (1.00) TSHRALOX15SRD5A2ALDH1A1TP53
SCHEMBL4030936 0.82 TSHR (0.71) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL9120766 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL2918294 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL7634885 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL3150134 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL8024007 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL9493329 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL32665742 0.80 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53

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-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

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 2449/4885ALOX15 1109/4885SRD5A2 2382/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS TSHR 2449/4885ALOX15 1109/4885SRD5A2 2382/4885

“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.