Sugi Predict

Sugi Predict / Compounds / SCHEMBL6843424

SCHEMBL6843424

SCHEMBL6843424

COC(=O)c1cccc(COc2cc(C(=O)OC)cc(C(=O)OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 11/20 0.71
▸ LOXL2 Q9Y4K0 1/20 0.60
▸ CYP4F2 P78329 2/20 0.59
▸ CYP4A11 Q02928 2/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ PKM P14618 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ LMNA P02545 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ HPGD P15428 1/20 0.55
▸ MAPT P10636 1/20 0.54

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
SCHEMBL6843288 0.93 MRGPRX4 (0.66) MRGPRX4LOXL2SMN1; SMN2RAB9ATP53
SCHEMBL10411878 0.89 MRGPRX4 (0.77) MRGPRX4LOXL2
SCHEMBL183994 0.88 LMNA (0.70) MRGPRX4SMN1; SMN2RAB9ALMNANPC1
SCHEMBL10659025 0.87 MRGPRX4 (0.74) MRGPRX4
SCHEMBL21578904 0.87 MRGPRX4 (0.76) MRGPRX4LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL2654709 0.85 MRGPRX4 (0.71) MRGPRX4LOXL2
SCHEMBL1122805 0.85 MRGPRX4 (0.71) MRGPRX4LMNAHPGD
SCHEMBL12885852 0.85 MRGPRX4 (0.74) MRGPRX4LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL976424 0.85 MAOB (0.73) MRGPRX4LMNAHPGD
SCHEMBL30412034 0.85 MAOB (0.73) MRGPRX4LMNAHPGD

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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 — — US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 — — US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 — — EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 — — US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 — — 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 (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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MRGPRX4 1860/4885LOXL2 3661/4885CYP4F2 37/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MRGPRX4 1860/4885LOXL2 3661/4885CYP4F2 37/4885

“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.