SCHEMBL3092558

SCHEMBL3092558

O=C[C@@H]1CSC(=O)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.50
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
GSK3A P49840 4/20 0.46
GSK3B P49841 4/20 0.46
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12648852 0.82 MEN1 (0.50) MMP9GSK3AGSK3BALDH1A1MEN1
SCHEMBL3086045 0.75 MMP2 (0.63) EHMT2MMP2MMP9GSK3AGSK3B
SCHEMBL3088377 0.75 MMP2 (0.49) EHMT2MMP2MMP9GSK3AGSK3B
SCHEMBL28859277 0.74 EHMT2 (0.47) EHMT2MMP2MMP9GSK3AGSK3B
SCHEMBL28859279 0.74 EHMT2 (0.47) EHMT2MMP2MMP9GSK3AGSK3B
SCHEMBL8293421 0.73 EHMT2 (0.46) EHMT2GSK3AGSK3BALDH1A1TDP1
SCHEMBL22443716 0.73 TP53 (0.46) EHMT2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL22443715 0.73 TP53 (0.46) EHMT2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL29135687 0.72 EHMT2 (0.45) EHMT2ALDH1A1TDP1MEN1KMT2A
SCHEMBL29135683 0.72 EHMT2 (0.45) EHMT2ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799929-B2 Biotin intermediate and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2010-09-21 US disclosed
EP-1462444-B1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2009-09-16 EP disclosed
EP-2098528-A2 Biotin intermediate and process for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-09 EP disclosed
US-20080119655-A1 Biotin intermediate and process for preparing the same SEKI MASAHIKO 2008-05-22 US disclosed
US-7335778-B2 Intermediate for biotin and process for producing the same TANABE SEIYAKU CO., LTD. (JP) 2008-02-26 US disclosed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US disclosed
EP-1462444-A1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-09-29 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-20080119655-A1 Biotin intermediate and process for preparing the same BTD, BOLA2; BOLA2B, BCAT1 EHMT2 308/4885MMP2 3977/4885MMP9 4356/4885
US-20050038260-A1 Intermediate for biotin and process for producing the same BTD, BCAT1, HLCS EHMT2 388/4885MMP2 3330/4885MMP9 4093/4885

“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.