SCHEMBL7136194

SCHEMBL7136194

O=S1(=O)CC(Sc2ccccc2)c2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MCHR1 Q99705 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
EPHX2 P34913 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7136190 0.88 NPC1 (0.47) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL7126744 0.80 CA12 (0.47) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL7124728 0.79 SLC10A2 (0.47) TP53TSHRLTA4HCA1CA2
SCHEMBL7129829 0.76 KDM4E (0.33) KDM4EALDH1A1CA1CA2CA9
SCHEMBL7128436 0.75 MAOB (0.38) NPC1RAB9AKDM4EALDH1A1CA2
SCHEMBL7126797 0.73 SLC10A2 (0.38) ALDH1A1FGFR1SRCCA2
SCHEMBL7129815 0.72 SLC10A2 (0.44) TP53LTA4H
SCHEMBL7135165 0.71 BRD4 (0.43) CA2
SCHEMBL7126742 0.71 KDM4E (0.48) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL7131951 0.71 MAOB (0.46) RAB9AALDH1A1

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 5 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
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 NPC1 4435/4885RAB9A 4644/4885KDM4E 1111/4885

“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.