Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742777

SCHEMBL19742777

SCHEMBL19742777

CSCc1cc([N+](=O)[O-])ccc1/C(C)=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 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
SCHEMBL19742677 0.85 ITGA4 (0.35) ITGA4ITGB7L3MBTL1MAPTSMN1; SMN2
SCHEMBL19742675 0.85 ITGA4 (0.35) ITGA4ITGB7L3MBTL1MAPTSMN1; SMN2
SCHEMBL19742557 0.81 ITGA4 (0.35) ITGA4ITGB7MAPTSMN1; SMN2ALOX5
SCHEMBL30279954 0.78 KMT2A (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL19742706 0.78 KMT2A (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL19742520 0.78 KMT2A (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30279897 0.78 KMT2A (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL19742613 0.75 KMT2A (0.43) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19742612 0.75 KMT2A (0.43) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19742785 0.74 SMN1; SMN2 (0.40) L3MBTL1MAPTSMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 — — EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 — — EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 — — US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 — — US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 — — US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 — — 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 ITGA4 1926/4885ITGB7 1052/4885L3MBTL1 3627/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ITGA4 1926/4885ITGB7 1052/4885L3MBTL1 3627/4885

“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.