SCHEMBL7133441

SCHEMBL7133441

COc1cccc(CNCc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
FBP1 P09467 1/20 0.40
HTR6 P50406 1/20 0.40
HTR2A P28223 1/20 0.40
MMP13 P45452 1/20 0.39
KDM1A O60341 2/20 0.39
HDAC1 Q13547 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRM2 P08172 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
SCHEMBL7693053 0.94 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL7160026 0.93 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL7696310 0.92 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL7133437 0.90 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL7132604 0.89 CA1 (0.37) ALDH1A1PKMHTTSMN1; SMN2HTR2A
SCHEMBL7129579 0.89 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL7126147 0.88 APLNR (0.47) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL7135186 0.87 KDM4E (0.40) KMT2AMEN1KDM4ENPC1KDM1A
SCHEMBL7133168 0.87 KDM4E (0.49) KMT2AMEN1KDM4EALDH1A1KDM1A
Hydrochloric Acid SCHEMBL7158383 0.86 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1HTT

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 6 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
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 KMT2A 3177/4885MEN1 292/4885KDM4E 1111/4885

“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.