Sugi Predict

Sugi Predict / Compounds / SCHEMBL10150317

SCHEMBL10150317

SCHEMBL10150317

COC(=O)CON=C1/C=C/CC/C=C/C[C@@H](c2ccccc2)OC(=O)c2c(O)cc(O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ GEMIN4 P57678 1/20 0.33
▸ HSF1 Q00613 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL10150325 1.00 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL10150315 0.89 F13A1 (0.41) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12143051 0.89 F13A1 (0.41) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL10150274 0.88 MKNK2 (0.50) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL10150219 0.88 MKNK2 (0.50) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL10150320 0.88 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL10150309 0.88 F13A1 (0.39) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL13050578 0.82 F13A1 (0.38) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12253182 0.82 F13A1 (0.38) F13A1TGM2MKNK2HSP90AB1MAPT
SCHEMBL12252500 0.82 F13A1 (0.38) F13A1TGM2MKNK2HSP90AB1MAPT

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
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 — — US disclosed
US-8329683-B2 Treatment of neurofibromatosis with radicicol and its derivatives NEXGENIX PHARMACEUTICALS, LLC (US) 2012-12-11 — — US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 — — US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 — — US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 — — US disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 — — 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 (3 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P F13A1 3067/4885TGM2 3060/4885MKNK2 12/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 F13A1 764/4885TGM2 1861/4885MKNK2 2172/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P F13A1 3067/4885TGM2 3060/4885MKNK2 12/4885

“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.