SCHEMBL7123841

SCHEMBL7123841

COc1cc(C(=O)NCc2cccnc2)cc2c1C=CS2(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
USP2 O75604 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
TSHR P16473 2/20 0.60
BLM P54132 1/20 0.60
CYP2C19 P33261 2/20 0.59
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7123842 0.91 ALDH1A1 (0.64) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL2926787 0.81 ALDH1A1 (0.78) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL7133281 0.81 RECQL (0.59) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL7128411 0.77 USP2 (0.58) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL13947063 0.77 ALDH1A1 (0.82) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL12426371 0.76 ALDH1A1 (0.80) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
Picotamide SCHEMBL30254057 0.75 CYP1A2 (1.00) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
Picotamide SCHEMBL30206880 0.75 CYP1A2 (1.00) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
Picotamide SCHEMBL137025 0.75 CYP1A2 (1.00) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL21246573 0.74 ALDH1A1 (0.80) ALDH1A1L3MBTL1USP2NPSR1CYP1A2

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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US claimed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US disclosed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient TPMT, CD47, THPO ALDH1A1 3159/4885L3MBTL1 2967/4885USP2 4124/4885

“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.