SCHEMBL7129335

SCHEMBL7129335

O=C(OCc1ccccc1)N1CCN(C(=O)c2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TGM2 P21980 6/20 0.42
TGM1 P22735 5/20 0.42
F13A1 P00488 4/20 0.42
TGM3 Q08188 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL7129330 0.91 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATGM2TGM1
SCHEMBL7134764 0.86 LMNA (0.51) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7130680 0.85 LMNA (0.50) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1
SCHEMBL7127365 0.84 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL7134800 0.81 LMNA (0.45) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7155905 0.79 LMNA (0.47) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7156866 0.78 GFER (0.57) SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL7130714 0.76 MAPT (0.35) SMN1; SMN2ALDH1A1TSHRCA1CA2
SCHEMBL7694862 0.76 NR1H4 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7130689 0.76 LMNA (0.50) SMN1; SMN2CYP2C19MEN1KMT2AALDH1A1

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-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 SMN1; SMN2 527/4885NPC1 4435/4885RAB9A 4644/4885

“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.