SCHEMBL2110045

SCHEMBL2110045

c1ccc(Oc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
PDPK1 O15530 1/20 0.45
LTA4H P09960 3/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
GRM5 P41594 1/20 0.40
SYK P43405 1/20 0.40
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 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
Ethyne SCHEMBL27831513 0.96 TLR4 (0.47) TLR4TLR2PDPK1LTA4HTSHR
SCHEMBL4685740 0.96 TLR4 (0.47) TLR4TLR2PDPK1LTA4HTSHR
SCHEMBL3407749 0.81 LMNA (0.52) TLR4TLR2LTA4HHPGDSMN1; SMN2
Diphenylether SCHEMBL28212638 0.81 TLR4 (0.42) TLR4TLR2PDPK1LTA4HTSHR
SCHEMBL25369458 0.80 FBP1 (0.43) TLR4TLR2LTA4HKMT2AMEN1
SCHEMBL2931895 0.80 TLR4 (0.40) TLR4TLR2TSHRACACBACACA
SCHEMBL21274270 0.80 L3MBTL1 (0.44) TLR4TLR2LTA4HKMT2AMEN1
SCHEMBL1371678 0.80 MEN1 (0.50) TLR4TLR2LTA4HTSHRKMT2A
SCHEMBL7492368 0.80 TLR4 (0.40) TLR4TLR2TSHRRAB9AACACB
SCHEMBL4743684 0.80 FBP1 (0.51) TLR4TLR2LTA4HTSHRKMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619861-A COATING PARTICLES WITH ORGANONITROGEN OR ORGANOSULFUR POLYMER TDK CORPORATION (JP) 1986-10-28 US claimed
CN-112996486-A Local delivery of therapeutic agents comprising cell penetrating peptides for the treatment of age-related macular degeneration and other eye diseases K·罗伊兹曼 2021-06-18 CN disclosed
EP-3279187-B1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO (JP) 2021-06-02 EP disclosed
US-20210138034-A1 TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES WITH APOLIPOPROTEIN MIMETICS MACREGEN, INC. (US) 2021-05-13 US disclosed
US-20210085797-A1 TOPICAL DELIVERY OF THERAPEUTIC AGENTS USING CELL-PENETRATING PEPTIDES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES MACREGEN, INC. (US) 2021-03-25 US disclosed
US-10905770-B2 Topical delivery of therapeutic agents using cell-penetrating peptides for the treatment of age-related macular degeneration and other eye diseases MACREGEN, INC. (US) 2021-02-02 US disclosed
CN-107446840-B 2-phenyl-6-hydroxy-3-pyridazinone degrading bacterium and application thereof 江苏南资环保科技有限公司 2020-07-10 CN disclosed
EP-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 EP disclosed
EP-3654941-A1 TOPICAL DELIVERY OF THERAPEUTIC AGENTS COMPRISING CELL-PENETRATING PEPTIDES FOR USE FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES Roizman, Keith (US) 2020-05-27 EP disclosed
CN-111153516-A Treatment process for treating phenylhydrazine hydrochloride wastewater by using macroporous resin 启东亚太药业有限公司 2020-05-15 CN disclosed
CN-101973660-A Recycling and pretreatment methods of raw materials containing benzene thiazole alcohol pesticide industrial wastewater UNIV ZHEJIANG 2011-02-16 CN disclosed
CN-101973660-A Recycling and pretreatment methods of raw materials containing benzene thiazole alcohol pesticide industrial wastewater UNIV ZHEJIANG 2011-02-16 CN disclosed
EP-2166843-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-03-31 EP disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-4619861-A COATING PARTICLES WITH ORGANONITROGEN OR ORGANOSULFUR POLYMER TDK CORPORATION (JP) 1986-10-28 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 (4 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 TLR4 4210/4885TLR2 4494/4885PDPK1 705/4885
US-20210085797-A1 TOPICAL DELIVERY OF THERAPEUTIC AGENTS USING CELL-PENETRATING PEPTIDES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES NPC1L1, STARD3, CETP TLR4 1337/4885TLR2 1480/4885PDPK1 391/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TLR4 1172/4885TLR2 1424/4885PDPK1 969/4885
US-10905770-B2 Topical delivery of therapeutic agents using cell-penetrating peptides for the treatment of age-related macular degeneration and other eye diseases NPC1L1, STARD3, CETP TLR4 1337/4885TLR2 1480/4885PDPK1 391/4885

“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.