SCHEMBL9964407

SCHEMBL9964407

C[C@@H](Oc1ccc(-c2cc(O)n[s+]2[O-])cc1)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
SLC6A4 P31645 4/20 0.35
HTR6 P50406 5/20 0.34
ADRB3 P13945 3/20 0.33
ADRB2 P07550 2/20 0.33
HTR2C P28335 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
HTR2B P41595 1/20 0.33
ADRB1 P08588 2/20 0.33
MGLL Q99685 1/20 0.33
SLC2A1 P11166 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
AOC3 Q16853 1/20 0.31
OGG1 O15527 1/20 0.31

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
SCHEMBL9964410 0.86 ADAMTS4 (0.33) ADAMTS4MMP13LTB4RLTB4R2
SCHEMBL9964412 0.86 ADAMTS4 (0.33) ADAMTS4MMP13LTB4RLTB4R2
SCHEMBL17319353 0.71 SLC6A4 (0.49) DHFRSLC6A4HTR6HTR2CHTR2B
SCHEMBL27812136 0.68 ALDH1A1 (0.49) DHFRSLC6A4
SCHEMBL5546380 0.68 SLC6A4 (0.45) DHFRSLC6A4HTR6ADRB3ADRB2
SCHEMBL9934351 0.67 IDO1 (0.37)
SCHEMBL13577156 0.65 DHFR (0.47) DHFRSLC6A4HTR6ADRB3ADRB2
SCHEMBL13577019 0.64 DHFR (0.46) DHFRSLC6A4HTR6ADRB3ADRB2
SCHEMBL3096347 0.61 AOC3 (0.56) DHFRSLC6A4HTR6HTR2CHTR2B
SCHEMBL1155251 0.61 AR (0.40) DHFRSLC6A4HTR6HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 DHFR 4626/4885SLC6A4 2310/4885HTR6 384/4885

“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.