SCHEMBL7126020

SCHEMBL7126020

COc1c(C(=O)NCCN(C)C)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
CA2 P00918 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1C3 P42330 1/20 0.38
RAD52 P43351 2/20 0.38
UHRF1 Q96T88 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.36
PTK2 Q05397 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMARCA2 P51531 1/20 0.36
CYP2D6 P10635 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
SCHEMBL7132573 0.91 ALDH1A1 (0.43) MCHR1CA2ALDH1A1MAPK1AKR1C3
SCHEMBL7126023 0.91 MCHR1 (0.39) MCHR1CA2ALDH1A1MAPK1AKR1C3
SCHEMBL7131998 0.89 CA2 (0.38) CA2ALDH1A1MAPK1AKR1C3PKM
SCHEMBL7127956 0.87 CA2 (0.37) CA2ALDH1A1MAPK1AKR1C3PKM
SCHEMBL7128680 0.87 CA2 (0.37) CA2ALDH1A1MAPK1AKR1C3PKM
SCHEMBL7134582 0.86 ALDH1A1 (0.43) CA2ALDH1A1MAPK1AKR1C3RAD52
Hydrochloric Acid SCHEMBL7160683 0.85 ALDH1A1 (0.43) CA2ALDH1A1MAPK1AKR1C3RAD52
SCHEMBL7126430 0.85 PLK1 (0.36) ALDH1A1MAPK1TP53MAPTKMT2A
SCHEMBL7132062 0.82 MAPT (0.33) ALDH1A1MAPK1AKR1C3TP53MAPT
SCHEMBL7132575 0.82 ALDH1A1 (0.43) MCHR1CA2ALDH1A1MAPK1AKR1C3

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
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 MCHR1 3999/4885CA2 3155/4885ALDH1A1 3159/4885

“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.