SCHEMBL10150422

SCHEMBL10150422

CON(C)C(=O)CSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
SIGMAR1 Q99720 1/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ACKR3 P25106 1/20 0.42
PABPC1 P11940 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL6848229 0.84 APEX1 (0.61) RAB9AALDH1A1L3MBTL1HPGDSMN1; SMN2
SCHEMBL6841317 0.82 APEX1 (0.38) FFAR1ALDH1A1MAPTTP53
SCHEMBL10150451 0.79 ALDH1A1 (0.44) RAB9AALDH1A1L3MBTL1HPGDNPC1
SCHEMBL13050382 0.76 KIF11 (0.45)
SCHEMBL6764561 0.74 FFAR1 (0.61) FFAR1RAB9AALDH1A1L3MBTL1HPGD
SCHEMBL361027 0.73 ALOX5 (0.53) RAB9AALDH1A1L3MBTL1NPC1SMN1; SMN2
SCHEMBL3776920 0.73 FFAR1 (0.59) FFAR1SIGMAR1RAB9AALDH1A1L3MBTL1
SCHEMBL8578042 0.72 L3MBTL1 (0.47) RAB9AALDH1A1L3MBTL1NPC1SMN1; SMN2
SCHEMBL1795382 0.71 FFAR1 (0.57) FFAR1SIGMAR1RAB9AALDH1A1L3MBTL1
SCHEMBL2027600 0.71 LMNA (0.59) FFAR1RAB9AALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136799-B1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 UNIV STRASBOURG (FR) 2017-10-04 EP disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
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-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-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-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
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
WO-2008021213-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 WINSSINGER NICOLAS (FR) 2008-02-21 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 (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 FFAR1 3779/4885SIGMAR1 2615/4885RAB9A 1966/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 FFAR1 4801/4885SIGMAR1 3354/4885RAB9A 967/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P FFAR1 3779/4885SIGMAR1 2615/4885RAB9A 1966/4885

“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.