SCHEMBL7594628

SCHEMBL7594628

CC(=O)SCc1ccc(OP(=O)(O)C(F)F)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
CYP2D6 P10635 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7187616 0.85 LMNA (0.33) ALDH1A1KDM4ETDP1MAPTCYP1A2
SCHEMBL7194710 0.82 KMT2A (0.46) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL7595556 0.82 TP53 (0.37) ALDH1A1MAPTABL1RIN1KMT2A
SCHEMBL5390873 0.82 NPC1 (0.35) ALDH1A1KDM4ETDP1MAPTCYP1A2
SCHEMBL7592741 0.81 MAPT (0.40) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL7595800 0.81 PTPN1 (0.35) ALDH1A1KDM4ETDP1MAPTCYP1A2
SCHEMBL7193735 0.81 PTPN1 (0.35) S1PR2S1PR1S1PR3LPAR2
SCHEMBL7193736 0.81 PTPN1 (0.38) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL7183011 0.81 PTPN1 (0.38) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL3742974 0.80 S1PR2 (0.34) ALDH1A1KDM4ETDP1MAPTCYP1A2

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-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO ALDH1A1 312/4885KDM4E 2275/4885TDP1 1705/4885

“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.