SCHEMBL12607239

SCHEMBL12607239

COC(=O)C(SC(C)=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12607240 0.85 L3MBTL1 (0.41) KMT2AALDH1A1SMN1; SMN2
SCHEMBL12607247 0.83 HDAC3 (0.40) CYP1A2KMT2AALDH1A1CYP2C19
SCHEMBL12651031 0.83 NPSR1 (0.47) KMT2ASMN1; SMN2
SCHEMBL9837170 0.83 TRPA1 (0.47) KMT2ACNR1HPGDSMN1; SMN2
SCHEMBL12607238 0.81 MAPT (0.40) KMT2AALDH1A1
SCHEMBL12607246 0.81 ESR1 (0.42) KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12651100 0.80 PDE2A (0.43)
SCHEMBL12607245 0.78 TSHR (0.41) CYP1A2KMT2APOLBALDH1A1HPGD
SCHEMBL12607249 0.77 CYP1A2 (0.41) CYP1A2KMT2APOLBALDH1A1HPGD
SCHEMBL12651028 0.77 ALDH1A1 (0.46) KMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 US disclosed
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 US disclosed
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-08 US disclosed
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-08 US disclosed
US-8420849-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-16 US disclosed
US-8420849-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-16 US disclosed
US-8399685-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
US-8399685-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-19 US disclosed
US-20130060050-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-07 US disclosed
US-20130060050-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-07 US disclosed
US-20110124884-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-26 US disclosed
US-20110124884-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-26 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 (3 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-20130060050-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF SULT1E1, CYP3A4, TKT CYP1A2 92/4885KMT2A 2284/4885CNR1 2101/4885
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF TST, SULT1E1, GRHPR CYP1A2 55/4885KMT2A 921/4885CNR1 2232/4885
US-20110124884-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF TST, SULT1E1, GRHPR CYP1A2 55/4885KMT2A 921/4885CNR1 2232/4885

“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.