SCHEMBL887381

SCHEMBL887381

O=P1(O)SC(c2ccccc2)C(c2ccccc2)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EDNRA P25101 1/20 0.33
HDAC4 P56524 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 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
SCHEMBL887322 0.74 EPHX1 (0.34) CA2KDM4EHPGDPOLBUSP2
SCHEMBL11573778 0.66 TSHR (0.39) HSD17B10MAPK1MAPTLMNATP53
SCHEMBL887374 0.65 MAPK1 (0.42) EDNRAHDAC4MAPK1SMN1; SMN2HDAC3
SCHEMBL887405 0.65 MAPK1 (0.42) EDNRAHDAC4MAPK1SMN1; SMN2HDAC3
SCHEMBL887275 0.65 MAPK1 (0.42) EDNRAHDAC4MAPK1SMN1; SMN2HDAC3
SCHEMBL1886493 0.64 AKR1C3 (0.38) KDM4EHPGDPOLBHDAC4MAPT
SCHEMBL887305 0.64 GBA1 (0.44) CA2EDNRAMAPK1SMN1; SMN2MAPT
SCHEMBL12639524 0.64 AKR1C3 (0.38) KDM4EHPGDPOLBHDAC4MAPT
SCHEMBL31574623 0.64 MAPK1 (0.41) KDM4EPOLBRECQLEDNRAMAPK1
SCHEMBL13010455 0.64 AKR1C3 (0.38) KDM4EHPGDPOLBHDAC4MAPT

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 CA2 993/4885KDM4E 1975/4885HPGD 2901/4885

“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.