SCHEMBL7123797

SCHEMBL7123797

Cc1ccc(CNCc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.35
CA12 O43570 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCR4 P61073 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
AKR1C3 P42330 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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 SCHEMBL7154728 0.99 NPC1 (0.37) NPC1RAB9AMAPTATMCA12
SCHEMBL7132601 0.93 PKM (0.38) RAB9AKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7129838 0.90 CA2 (0.36) MAPTCA12CA9KMT2AMEN1
SCHEMBL7128517 0.90 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2CXCR4KDM4E
SCHEMBL7128687 0.89 CA2 (0.48) CA12CA9LMNACA1CA2
SCHEMBL7123801 0.89 RAB9A (0.36) NPC1RAB9AMAPTATMCA12
Hydrochloric Acid SCHEMBL7154721 0.88 CA1 (0.36) NPC1RAB9AMAPTATMCA12
SCHEMBL7136029 0.86 MEN1 (0.40) MAPTCA12L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7126788 0.85 MEN1 (0.39) MAPTCA12L3MBTL1KMT2AMEN1
SCHEMBL7130582 0.85 SSTR3 (0.37) MAPTL3MBTL1KMT2AMEN1SMN1; SMN2

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 NPC1 4435/4885RAB9A 4644/4885MAPT 970/4885

“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.