SCHEMBL1852479

SCHEMBL1852479

CC(C)(C)OC(=O)c1cccc(-c2ccc(CBr)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.49
▸ RXRA P19793 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ BCL2 P10415 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
SCHEMBL2344130 0.87 SLC7A5 (0.52) SLC7A5RXRANR1H2NR1H3CA12
SCHEMBL1851002 0.85 CA12 (0.56) SLC7A5RXRARAB9ACA12CA1
SCHEMBL259 0.84 CA12 (0.59) CA12CA1CA2CA9CYP4F2
SCHEMBL127411 0.84 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11
SCHEMBL29471996 0.84 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11
SCHEMBL1410040 0.84 KMO (0.55) SLC7A5RXRANR1H2NR1H3CA12
SCHEMBL30873952 0.83 FFAR1 (0.55) SLC7A5RXRANR1H2NR1H3NPC1
SCHEMBL1854635 0.82 DHODH (0.48) SLC7A5RXRANR1H2NR1H3CA12
SCHEMBL5863216 0.82 NPC1 (0.51) NPC1RAB9AMAPTCYP4F2CYP4A11
SCHEMBL8097492 0.81 CA12 (0.49) SLC7A5RXRANR1H2NR1H3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 — — EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 — — US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 — — US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 — — EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 — — WO disclosed
US-6486141-B2 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-11-26 — — US disclosed
US-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-02 — — US disclosed
US-5389659-A Hypotensive agents GLAXO GROUP LIMITED (GB) 1995-02-14 — — US disclosed
WO-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 — — WO disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 — — 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 (2 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SLC7A5 2600/4885RXRA 3954/4885NR1H2 1302/4885
US-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PTPRO, PPM1B, PTPA SLC7A5 4005/4885RXRA 2868/4885NR1H2 2563/4885

“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.

Send feedback