SCHEMBL7130348

SCHEMBL7130348

NCCCOc1ccc2c(c1)S(O)(O)CC2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
KAT6A Q92794 1/20 0.37
PPARD Q03181 4/20 0.36
HTR2A P28223 1/20 0.36
F2 P00734 3/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PPARG P37231 1/20 0.34

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 SCHEMBL7159041 0.99 ITGB3 (0.38) ITGB3ITGA2BKAT6APPARDHTR2A
SCHEMBL7135473 0.94 ITGB3 (0.42) ITGB3ITGA2BKAT6APPARDHTR2A
Hydrochloric Acid SCHEMBL7160727 0.94 ITGB3 (0.42) ITGB3ITGA2BKAT6APPARDHTR2A
SCHEMBL7123146 0.91 PPARD (0.45) KAT6APPARDF2HTR1AHTR7
SCHEMBL7130847 0.90 KAT6A (0.38) KAT6APPARDHTR2AHTR1AHTR7
SCHEMBL7129812 0.89 KAT6A (0.37) KAT6APPARDHTR2AHTR1AHTR7
SCHEMBL7131920 0.88 KAT6A (0.45) KAT6AHTR2A
SCHEMBL7130350 0.88 CA1 (0.40) ITGB3ITGA2BKAT6APPARDHTR2A
Hydrochloric Acid SCHEMBL7159037 0.87 CA1 (0.40) ITGB3ITGA2BKAT6APPARDHTR2A
SCHEMBL7248289 0.86 KDM4E (0.45)

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 ITGB3 3260/4885ITGA2B 2276/4885KAT6A 4261/4885

“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.