SCHEMBL1703530

SCHEMBL1703530

CC(C)(C)C(=O)[C@H](COCc1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
PPARA Q07869 2/20 0.46
SLC1A1 P43005 1/20 0.46
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CTSS P25774 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.41
GHSR Q92847 1/20 0.41
FOLH1 Q04609 1/20 0.41
TACR1 P25103 2/20 0.41
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL1705704 1.00 CA1 (0.47) CA1PPARASLC1A1CA2CA7
SCHEMBL1709304 0.83 CA1 (0.46) CA1PPARASLC1A1CA2CA7
SCHEMBL1706267 0.78 MAPT (0.49) FOLH1KMT2A
SCHEMBL1703264 0.78 MAPT (0.49) FOLH1KMT2A
SCHEMBL13248651 0.78 SLC1A1 (0.46) CA1PPARASLC1A1CA2CA7
SCHEMBL21048726 0.78 SLC1A1 (0.52) CA1PPARASLC1A1CA2CA7
SCHEMBL14347445 0.78 PPARA (0.52) CA1PPARASLC1A1CA2CA7
SCHEMBL17359116 0.78 LMNA (0.49) PPARAPPARG
SCHEMBL1705697 0.76 TSHR (0.50) TSHRALDH1A1KMT2A
SCHEMBL1703204 0.76 TSHR (0.50) TSHRALDH1A1KMT2A

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-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CA1 3499/4885PPARA 766/4885SLC1A1 4477/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CA1 3499/4885PPARA 766/4885SLC1A1 4477/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO CA1 3499/4885PPARA 766/4885SLC1A1 4477/4885

“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.