SCHEMBL7126737

SCHEMBL7126737

NCCCOc1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.37
F2 P00734 3/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HTR1A P08908 8/20 0.33
HTR7 P34969 8/20 0.33
ADRA1D P25100 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ITGAV P06756 1/20 0.31

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
Hydrochloric Acid SCHEMBL7250166 0.99 HTR1B (0.36) HTR1BF2CA1CA2CA9
SCHEMBL7132423 0.94 TP53 (0.38) HTR1BCA1CA2CA9HTR1A
Hydrochloric Acid SCHEMBL7128142 0.93 TP53 (0.40) HTR1BCA1CA2CA9HTR1A
SCHEMBL7127769 0.89 MEN1 (0.34) CA1CA2CA9HTR1AHTR7
SCHEMBL7125665 0.89 KCNA3 (0.38) HTR1AHTR7
SCHEMBL7126734 0.88 HTR1B (0.36) HTR1BF2HTR1AHTR7TP53
SCHEMBL7130675 0.87 HTR1B (0.41) HTR1BHTR7KDM4E
Hydrochloric Acid SCHEMBL7250173 0.87 HTR1B (0.36) HTR1BF2HTR1AHTR7TP53
SCHEMBL7131952 0.85 HTR7 (0.43) HTR1BHTR7KDM4E
SCHEMBL7127159 0.85 CA1 (0.39) CA1CA2CA9HTR1AHTR7

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 4 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-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

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 HTR1B 4838/4885F2 1968/4885CA1 2040/4885

“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.