Sugi Predict

Sugi Predict / Compounds / SCHEMBL5640199

SCHEMBL5640199

SCHEMBL5640199

C=CC(O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ OPRD1 P41143 1/20 0.45
▸ DPP4 P27487 2/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ERN1 O75460 1/20 0.43

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
SCHEMBL5244798 0.81 CA12 (0.44) CA1CA2CA12CA9CA14
SCHEMBL4640174 0.81 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL11168796 0.79 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL4408604 0.79 CA1 (0.66) CA1CA2CA12CA9CA14
SCHEMBL14487959 0.79 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL3422457 0.79 LMNA (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL3239314 0.78 OPRD1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL5133889 0.77 TSHR (0.50) CA1CA2CA12CA9CA14
SCHEMBL1516780 0.77 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL13876418 0.77 CA1 (0.57) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 — — EP disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 — — US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 — — US disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 — — EP disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 — — EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 — — WO disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 — — US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 — — EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 — — WO 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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CA1 2006/4885CA2 3798/4885CA12 3023/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R CA1 4138/4885CA2 1419/4885CA12 3143/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI CA1 731/4885CA2 1203/4885CA12 1610/4885

“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.