Sugi Predict

Sugi Predict / Compounds / SCHEMBL3073070

SCHEMBL3073070

SCHEMBL3073070

COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c(-c3nnc(Cl)c4ccccc34)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP17A1 P05093 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NR1I2 O75469 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MPL P40238 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3076140 0.87 ADORA2A (0.41) ADORA2AADORA1MAPTLMNAPDE4A
SCHEMBL1304599 0.82 MTNR1A (0.41) MAPTMTNR1AMTNR1BTSHRALDH1A1
SCHEMBL3072336 0.82 SOS1 (0.41) MAPTTP53ALDH1A1
SCHEMBL3066318 0.78 MTNR1A (0.35) MAPTMTNR1AMTNR1BENPP3TP53
SCHEMBL3060285 0.77 CYP17A1 (0.43) CYP17A1CYP11B1CYP11B2MAPTLMNA
SCHEMBL5325131 0.77 SOS1 (0.40) MAPTMTNR1AMTNR1BTP53ALDH1A1
SCHEMBL13138600 0.76 ADORA2A (0.36) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL3084379 0.75 CA1 (0.33) MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL27796343 0.74 MAPT (0.63) MAPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL1305414 0.74 MAPT (0.45) MAPTMTNR1AMTNR1BLMNAALDH1A1

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 ADORA2A 1158/4885ADORA1 1248/4885CYP17A1 1439/4885

“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.