Sugi Predict

Sugi Predict / Compounds / SCHEMBL2209593

SCHEMBL2209593

SCHEMBL2209593

CN1CCP(=O)(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ TYR P14679 1/20 0.36

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
SCHEMBL2209600 0.83 TP53 (0.41) TSHRTP53CHEK1KDM4ECA1
SCHEMBL2207076 0.80 DRD1 (0.38) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL10272984 0.77 SMN1; SMN2 (0.40) TSHRTP53ALDH1A1SMN1; SMN2USP2
SCHEMBL16908176 0.77 MAPT (0.46) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2212046 0.75 NPSR1 (0.45) TP53CA1CA2ALDH1A1POLB
SCHEMBL2208384 0.73 KCNH2 (0.48) KMT2AMEN1
Terephthalic Acid SCHEMBL28115441 0.71 MAPT (0.56) TSHRTP53CHEK1KDM4EALDH1A1
SCHEMBL14980308 0.69 POLB (0.72) TSHRPOLBKMT2AHPGDMEN1
SCHEMBL29221145 0.69 HPGD (0.42) POLBHPGDTDP1DRD1
SCHEMBL63450 0.69 CHEK1 (0.70) TP53CHEK1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 — — 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 (1 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN TSHR 1176/4885TP53 324/4885CHEK1 2036/4885

“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.