SCHEMBL7165484

SCHEMBL7165484

Fc1ccc(OC(=S)Cl)cc1.OC=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.35
NFE2L2 Q16236 1/20 0.34
ATM Q13315 1/20 0.33
AOC2 O75106 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
PTGS1 P23219 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL742569 0.92 MAOA (0.41) MAOAMAOBKMT2AMEN1NFE2L2
SCHEMBL7167401 0.82 CYP11B1 (0.38) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL7164646 0.80 CA12 (0.44) MAOBALDH1A1LMNAL3MBTL1
SCHEMBL2599765 0.79 TDP1 (0.35) MAOBKMT2AATMALDH1A1LMNA
SCHEMBL7163687 0.76 F2 (0.39) MAOBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2980634 0.72 NFE2L2 (0.38) MAOAMAOBKMT2ANFE2L2AOC2
SCHEMBL10500420 0.72 KMT2A (0.39) MAOBKMT2AMEN1ATMALDH1A1
SCHEMBL1462548 0.72 LMNA (0.40) MAOAMAOBKMT2AMEN1ATM
SCHEMBL9051513 0.72 MAOA (0.42) MAOAMAOBKMT2AMEN1NFE2L2
SCHEMBL6552309 0.71 MAOB (0.39) MAOAMAOBKMT2AMEN1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947504-B1 16-ENE-VITAMIN D DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 EP disclosed
US-6555699-B2 Antitumor and antirheumatic agents, high binding affinity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-12-19 US disclosed
US-6433200-B1 ANTITUMOR AND ANTIRHEUMATIC AGENTS, HIGH BINDING AFINITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY CHUGEI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
US-20020032340-A1 16-ene-vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-03-14 US disclosed
US-6326503-B1 ANTITUMOR AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-04 US disclosed
US-6184398-B1 ANTITUMOR AGENTS AND TREATMENT OF RHEUMATIC CONDITIONS; HIGH BINDING ABILITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY; E.G.,1,3-DIHYDROXY-20-3-HYDROXY-3-METHYLBUTYLTHIO)-9,10-SECOPREGNA -5,7,10(19),16-TETRAENE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-06 US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 EP 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-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 MAOA 4181/4885MAOB 3734/4885KMT2A 4427/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 MAOA 3842/4885MAOB 3085/4885KMT2A 3959/4885

“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.