SCHEMBL7122872

SCHEMBL7122872

COc1cccc2c1C(Sc1ccc(OCc3cccnc3)cc1)CS2(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.35
REN P00797 1/20 0.35
HTR6 P50406 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ACACB O00763 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
TYK2 P29597 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
SCHEMBL7122877 0.89 HTR1A (0.39) HTR1ADRD2HSD17B10LMNAGFER
SCHEMBL7124900 0.88 HTR1A (0.44) HTR1ADRD2LMNAGFERALDH1A1
SCHEMBL7159901 0.82 MAPK1 (0.41) HTR1ADRD2MAPK1CYP19A1CYP11B1
SCHEMBL7133224 0.80 CYP11B1 (0.42) HTR1ADRD2CYP19A1CYP11B1CYP11B2
SCHEMBL7157749 0.80 ADAMTS4 (0.41) HTR1ADRD2HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7159330 0.79 ADAMTS4 (0.41) HTR1ADRD2LMNASMN1; SMN2
SCHEMBL7128427 0.79 CYP11B1 (0.42) RENCYP19A1CYP11B1CYP11B2
SCHEMBL7133650 0.78 KDM4E (0.32) HSD17B10LMNAALDH1A1MAPK1
SCHEMBL7135162 0.77 MAPK1 (0.43) MAPK1
SCHEMBL7133247 0.77 MAPT (0.42) HTR1ADRD2ALDH1A1MAPK1HTR6

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 7 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
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 HTR1A 4841/4885DRD2 4880/4885HSD17B10 2541/4885

“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.