Sugi Predict

Sugi Predict / Compounds / SCHEMBL3071473

SCHEMBL3071473

SCHEMBL3071473

Cc1cccc([C@@H](C#Cc2ccccc2)C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.35
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ FFAR1 O14842 3/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL3071476 1.00 ACP3 (0.35) ACP3MGAMGAASIMGAM2
SCHEMBL3080913 0.89 ALDH1A1 (0.36) HSD11B1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3080910 0.89 ALDH1A1 (0.36) HSD11B1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3077555 0.81 MDM2 (0.36) HSD11B1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3077551 0.81 MDM2 (0.36) HSD11B1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL3083480 0.79 GLA (0.43) ACP3HSD11B1ALDH1A1CYP2C9CYP2C19
SCHEMBL3083475 0.79 GLA (0.43) ACP3HSD11B1ALDH1A1CYP2C9CYP2C19
SCHEMBL3080368 0.77 HPGD (0.39) ALDH1A1CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3080367 0.77 HPGD (0.39) ALDH1A1CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3078902 0.76 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 — — US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 — — EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 — — WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 — — 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 (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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 ACP3 4022/4885MGAM 2486/4885GAA 3565/4885

“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.