SCHEMBL3799753

SCHEMBL3799753

O=P(O)(O)C(=S)P(=O)(O)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.41
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
MMP14 P50281 2/20 0.39
CA2 P00918 1/20 0.39
MMP9 P14780 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SRC P12931 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8083418 0.81 ACP3 (0.42) HPGDMMP2CA2CA9CA14
SCHEMBL8091468 0.77 PLK1 (0.36) MEN1KMT2AHPGDCA2SMN1; SMN2
SCHEMBL2472085 0.76 MEN1 (0.61) MEN1KMT2AHPGDMMP2MMP8
SCHEMBL1059938 0.76 MEN1 (0.61) MEN1KMT2AHPGDMMP2MMP8
SCHEMBL10938293 0.76 KMT2A (0.52) MEN1KMT2AHPGDMMP2MMP8
SCHEMBL8587107 0.75 SRC (0.42) MEN1KMT2AHPGDMMP2CA2
Water SCHEMBL29937078 0.74 MEN1 (0.59) MEN1KMT2AHPGDMMP2MMP8
Hydrochloric Acid SCHEMBL27651690 0.74 MEN1 (0.59) MEN1KMT2AHPGDMMP2MMP8
SCHEMBL10622033 0.74 MEN1 (0.59) MEN1KMT2AHPGDMMP2MMP8
SCHEMBL8589340 0.74 BLM (0.37) SMN1; SMN2CYP2C19ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272653-A1 Contrast Medium for Use in Imaging Methods EUCRO EUROPEAN CONTRACT RESEARCH GMBH & CO. KG (DE) 2010-10-28 US claimed
US-20030229280-A1 Contrast Medium for Use in Imaging Methods EUCRO EUROPEAN CONTRACT RESEARCH GMBH AND CO. KG (DE) 2003-12-11 US claimed
EP-1057488-A1 INTERLEUKIN-6 PRODUCTION INHIBITORS TORAY INDUSTRIES, INC. (JP) 2000-12-06 EP claimed
US-20100272653-A1 Contrast Medium for Use in Imaging Methods EUCRO EUROPEAN CONTRACT RESEARCH GMBH & CO. KG (DE) 2010-10-28 US disclosed
US-20030229280-A1 Contrast Medium for Use in Imaging Methods EUCRO EUROPEAN CONTRACT RESEARCH GMBH AND CO. KG (DE) 2003-12-11 US disclosed
EP-0725070-B1 PROCESS FOR PRODUCING METHANEDIPHOSPHONIC ACID COMPOUND TORAY INDUSTRIES (JP) 2003-03-26 EP disclosed
EP-1057488-A1 INTERLEUKIN-6 PRODUCTION INHIBITORS TORAY INDUSTRIES, INC. (JP) 2000-12-06 EP disclosed
US-5886206-A Process for production of methanediphosphonic acid compound TORAY INDUSTRIES, INC. (JP) 1999-03-23 US disclosed
EP-0725070-A1 PROCESS FOR PRODUCING METHANEDIPHOSPHONIC ACID COMPOUND TORAY INDUSTRIES, INC. (JP) 1996-08-07 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 (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-20100272653-A1 Contrast Medium for Use in Imaging Methods NEFM, PHOSPHO1, PF4 MEN1 105/4885KMT2A 4216/4885HPGD 2433/4885

“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.