Sugi Predict

Sugi Predict / Compounds / SCHEMBL5548449

SCHEMBL5548449

SCHEMBL5548449

COC[C@H](CO)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.38
▸ TAS1R3 Q7RTX0 5/20 0.37
▸ TAS1R1 Q7RTX1 5/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MME P08473 2/20 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
SCHEMBL1993819 1.00 TGFBR1 (0.38) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL15903591 1.00 TGFBR1 (0.38) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL26133308 0.89 TAS1R3 (0.40) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL15878784 0.87 PLA2G2C (0.35) TGFBR1TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL28638694 0.83 TAS1R3 (0.38) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL28652097 0.83 TAS1R3 (0.38) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL15780011 0.83 PLA2G2C (0.43) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL16751335 0.83 PCNA (0.38) TGFBR1TAS1R3TAS1R1TAS1R2ACACB
SCHEMBL18221484 0.83 PLA2G2C (0.43) TGFBR1TAS1R3TAS1R1TAS1R2CA12
SCHEMBL16146113 0.81 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2CA12CA1

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
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 — — US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S TGFBR1 1935/4885TAS1R3 140/4885TAS1R1 143/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA TGFBR1 1341/4885TAS1R3 2943/4885TAS1R1 2896/4885

“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.