SCHEMBL7123777

SCHEMBL7123777

COc1c(CNCCCCc2ccccc2)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
SLC2A1 P11166 2/20 0.39
SLC6A5 Q9Y345 2/20 0.38
SIGMAR1 Q99720 3/20 0.36
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MPO P05164 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7123782 0.90 BCHE (0.44) BCHESLC2A1SLC6A5SIGMAR1HTR2A
SCHEMBL7128020 0.82 LMNA (0.44) KDM4EALDH1A1KMT2A
SCHEMBL7690650 0.82 MPO (0.44) BCHESLC6A5SIGMAR1HTR2AALDH1A1
Hydrochloric Acid SCHEMBL7163980 0.81 MPO (0.44) BCHESLC6A5SIGMAR1HTR2AALDH1A1
SCHEMBL7122770 0.81 HSD11B1 (0.32) KDM4EALDH1A1KMT2A
SCHEMBL7132667 0.78 MPO (0.42) BCHESLC6A5KDM4EALDH1A1MPO
SCHEMBL7132350 0.76 KMT2A (0.47) BCHEKDM4EALDH1A1TAAR1KMT2A
SCHEMBL7132035 0.75 CYP4F2 (0.39) ALDH1A1HPGDKMT2A
SCHEMBL7133217 0.74 CA1 (0.35) ALDH1A1
SCHEMBL7133167 0.74 KDM4E (0.51) BCHEKDM4EALDH1A1KMT2A

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 4 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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 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 BCHE 4843/4885SLC2A1 521/4885SLC6A5 4415/4885

“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.