SCHEMBL2070139

SCHEMBL2070139

O=C(CO)c1cc(Cl)cc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
RAB9A P51151 1/20 0.37
GSK3B P49841 4/20 0.35
HCAR1 Q9BXC0 1/20 0.35
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GPR35 Q9HC97 1/20 0.33
DDR1 Q08345 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
KMT2A Q03164 2/20 0.32
FABP4 P15090 1/20 0.32

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
SCHEMBL1448228 0.85 TPMT (0.54) TPMTRAB9AGSK3BHCAR1ERCC5
SCHEMBL2070727 0.85 GSK3B (0.38) RAB9AGSK3BALDH1A1HPGDKMT2A
SCHEMBL5050069 0.84 GSK3B (0.53) TPMTGPR139RAB9AGSK3BHCAR1
SCHEMBL19137597 0.84 GPR139 (0.42) TPMTGPR139RAB9AGSK3BHCAR1
SCHEMBL29334169 0.84 GSK3B (0.50) TPMTGPR139RAB9AGSK3BHCAR1
SCHEMBL16581103 0.82 TPMT (0.39) TPMTGPR139RAB9AGSK3BHCAR1
SCHEMBL19137592 0.81 HSD17B3 (0.44) TPMTGPR139RAB9AALDH1A1HPGD
SCHEMBL6175732 0.78 POLB (0.44) TPMTALDH1A1HPGDKMT2A
SCHEMBL6175642 0.78 TPMT (0.64) TPMTRAB9AHCAR1ALDH1A1HPGD
SCHEMBL2171006 0.77 TPMT (0.44) TPMTGPR139RAB9AHCAR1ACLY

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751870-B 2- (isoxazole-5-yl) phenyl-3, 4-dihydroxybenzoate and derivative thereof, and synthetic method and application thereof 贵州医科大学 2023-10-20 CN claimed
CN-114751870-A 2- (isoxazole-5-yl) phenyl-3, 4-dihydroxy benzoate and derivative thereof, and synthesis method and application thereof 贵州医科大学 2022-07-15 CN claimed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US claimed
US-20060269494-A1 New Ubiquitin-Proteasome Regulating Compounds and Their Application in Cosmetic and Pharmaceutical Formulations GUPTA SHYAM K 2006-11-30 US claimed
US-20060110415-A1 Topical Delivery System for Cosmetic and Pharmaceutical Agents BIODERM RESEARCH (US) 2006-05-25 US claimed
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 US claimed
US-20050271608-A1 Skin whitening compositions based on hydroxyaryl alkyl ketones and their isosteric derivatives GUPTA SHYAM K 2005-12-08 US claimed
WO-2023205439-A2 SKIN BARRIER PROTECTIVE DELIVERY SYSTEMS AND METHODS THEREOF BOBO LABS INC. (US) 2023-10-26 WO disclosed
CN-114751870-B 2- (isoxazole-5-yl) phenyl-3, 4-dihydroxybenzoate and derivative thereof, and synthetic method and application thereof 贵州医科大学 2023-10-20 CN disclosed
CN-115010688-A One-pot preparation method of 4-chromanone, congeners and derivatives thereof 烟台六谛医药科技有限公司 2022-09-06 CN disclosed
CN-114751870-A 2- (isoxazole-5-yl) phenyl-3, 4-dihydroxy benzoate and derivative thereof, and synthesis method and application thereof 贵州医科大学 2022-07-15 CN disclosed
US-7910742-B2 Survivin inhibitors ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20090130154-A1 Topical Delivery of Biological and Cosmetic Agents by Zeolites BIODERM RESEARCH (US) 2009-05-21 US disclosed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US disclosed
US-20080139507-A1 Method of Treating Skin Condition Including Acne, Skin Aging, Body Odor & Diaper Rash by Zinc Zeolite Clathrates BIODERM RESEARCH (US) 2008-06-12 US disclosed
US-20070072833-A1 Survivin inhibitors ABBVIE INC. 2007-03-29 US disclosed
US-20060269494-A1 New Ubiquitin-Proteasome Regulating Compounds and Their Application in Cosmetic and Pharmaceutical Formulations GUPTA SHYAM K 2006-11-30 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 (3 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-20070072833-A1 Survivin inhibitors XIAP, BIRC5, BIRC3 TPMT 3717/4885GPR139 4234/4885RAB9A 2539/4885
US-20090130154-A1 Topical Delivery of Biological and Cosmetic Agents by Zeolites TYR, MMP1, MMP17 TPMT 4391/4885GPR139 3170/4885RAB9A 4282/4885
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA TPMT 4213/4885GPR139 4670/4885RAB9A 2999/4885

“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.