SCHEMBL3086045

SCHEMBL3086045

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
EHMT2 Q96KQ7 1/20 0.49
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
GRM6 O15303 1/20 0.43
POLB P06746 2/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
ACE P12821 1/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR1 P21453 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1760828 0.84 MMP9 (0.54) MMP2MMP9GSK3AGSK3BPOLB
SCHEMBL1760840 0.84 MMP9 (0.54) MMP2MMP9GSK3AGSK3BPOLB
SCHEMBL3098454 0.81 MMP2 (0.53) MMP2MMP9EHMT2GSK3AGSK3B
SCHEMBL5161712 0.80 MEN1 (0.48) MMP2MMP9EHMT2GSK3AGSK3B
SCHEMBL3088377 0.77 MMP2 (0.49) MMP2MMP9EHMT2GSK3AGSK3B
SCHEMBL2535135 0.77 EHMT2 (0.47) EHMT2GRM6CYP2C19CYP2C9ACE
SCHEMBL2535132 0.77 EHMT2 (0.47) EHMT2GRM6CYP2C19CYP2C9ACE
SCHEMBL6087639 0.76 MMP2 (0.40) MMP2MMP9POLBACEKMT2A
SCHEMBL3092558 0.75 EHMT2 (0.50) MMP2MMP9EHMT2GSK3AGSK3B
SCHEMBL289574 0.74 P2RX7 (0.56) CYP2C19CYP2C9CYP3A4TSHRKMT2A

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-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
CN-1273453-C biotin intermediate and preparation method thereof TANABE SEIYAKU CO (JP) 2006-09-06 CN disclosed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US disclosed
CN-1564813-A biotin intermediate and preparation method thereof TANABE SEIYAKU CO (JP) 2005-01-12 CN 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 MMP2 3977/4885MMP9 4356/4885EHMT2 308/4885
US-20050038260-A1 Intermediate for biotin and process for producing the same BTD, BCAT1, HLCS MMP2 3330/4885MMP9 4093/4885EHMT2 388/4885

“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.