SCHEMBL887368

SCHEMBL887368

OP1(=S)OC(c2ccccc2)C(c2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2B P41595 4/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HDAC4 P56524 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2A P28223 2/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL887405 0.76 MAPK1 (0.42) EPHX1TSHRCYP2C19HDAC4
SCHEMBL887275 0.76 MAPK1 (0.42) EPHX1TSHRCYP2C19HDAC4
SCHEMBL887374 0.76 MAPK1 (0.42) EPHX1TSHRCYP2C19HDAC4
SCHEMBL31574623 0.65 MAPK1 (0.41) EPHX1TSHRCYP2C19MEN1KMT2A
SCHEMBL887359 0.65 GBA1 (0.44) TSHRCYP2C19MEN1KMT2AHTR2B
SCHEMBL21504750 0.65
SCHEMBL887283 0.64 GBA1 (0.39) EPHX1TSHRMEN1KMT2AHTR2B
SCHEMBL1103798 0.64 EPHX1 (0.52) EPHX1TSHRCYP2C19MEN1KMT2A
SCHEMBL1199046 0.64 EPHX1 (0.52) EPHX1TSHRCYP2C19MEN1KMT2A
SCHEMBL6571126 0.64 TSHR (0.48) EPHX1TSHRCYP2C19MEN1KMT2A

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 EPHX1 1098/4885TSHR 2162/4885CYP2C19 460/4885

“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.