SCHEMBL7131998

SCHEMBL7131998

CCCCOc1c(C(=O)NCCN(C)C)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GHSR Q92847 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 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
SCHEMBL7127956 0.97 CA2 (0.37) CA2ALDH1A1KDM4EABCB11LMNA
SCHEMBL7128680 0.97 CA2 (0.37) CA2ALDH1A1KDM4EABCB11LMNA
SCHEMBL7132573 0.92 ALDH1A1 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7132000 0.92 CA2 (0.38) CA2ALDH1A1KDM4EABCB11LMNA
SCHEMBL7126020 0.89 MCHR1 (0.39) CA2ALDH1A1LMNACYP2D6SMN1; SMN2
SCHEMBL7126325 0.89 CA2 (0.37) CA2ALDH1A1KDM4EABCB11LMNA
SCHEMBL7127959 0.89 CA2 (0.37) CA2ALDH1A1KDM4EABCB11LMNA
SCHEMBL7130625 0.85 WDR5 (0.36) ALDH1A1TSHRKAT6ACA9
SCHEMBL7130170 0.84 CYP1A2 (0.36) ALDH1A1KDM4ECYP1A2GAAHPGD
SCHEMBL7132575 0.84 ALDH1A1 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2HTT

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 5 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
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-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 CA2 3155/4885ALDH1A1 3159/4885KDM4E 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.