SCHEMBL7137256

SCHEMBL7137256

NCc1c(OCCCc2ccccc2)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
HTR2C P28335 1/20 0.32
IDO1 P14902 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TPSAB1 Q15661 1/20 0.30
FKBP1A P62942 1/20 0.30
MTNR1B P49286 1/20 0.30

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 SCHEMBL7248153 0.99 HTR2A (0.34) HTR2AKCNH2CA2CA1CA9
SCHEMBL7137251 0.89 HTR2A (0.34) HTR2AKCNH2CA2CA1CA9
SCHEMBL7129412 0.89 CA1 (0.39) CA2CA1CA9HTR2CCA12
Hydrochloric Acid SCHEMBL7248156 0.88 HTR2A (0.34) HTR2AKCNH2CA2CA1CA9
Hydrochloric Acid SCHEMBL7131071 0.88 CA1 (0.39) CA2CA1CA9HTR2CCA12
SCHEMBL7134132 0.83 HTR6 (0.34) CA2CA1CA9LMNAALDH1A1
Hydrochloric Acid SCHEMBL7250221 0.82 HTR6 (0.33) HTR2ACA2CA1CA9HTR2C
SCHEMBL7249513 0.81 SIGMAR1 (0.37) CA2CA1CA9IDO1CA12
SCHEMBL7131955 0.78 VEGFA (0.38) CA2CA1CA9CA12CA7
SCHEMBL7134215 0.78 CYP11B1 (0.37) HTR2AKCNH2CA2CA1CA9

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 3 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

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 HTR2A 4827/4885KCNH2 2111/4885CA2 3155/4885

“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.