SCHEMBL632902

SCHEMBL632902

Cc1ccsc1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
GSK3B P49841 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL11389102 0.80 MAPT (0.46) PKMGSK3BSMN1; SMN2HPGDPOLB
SCHEMBL5725289 0.80 POLB (0.46) PKMSMN1; SMN2HPGDATMPOLB
SCHEMBL157777 0.79 HPGD (0.70) PKMGSK3BSMN1; SMN2HPGDATM
SCHEMBL3829093 0.78 GSK3B (0.54) PKMGSK3BSMN1; SMN2HPGDATM
SCHEMBL23142309 0.76 PKM (0.45) PKMGSK3BSMN1; SMN2HPGDATM
SCHEMBL4730278 0.76 KMT2A (0.36) GSK3BHPGDATMPOLBRAB9A
SCHEMBL632529 0.76 KMT2A (0.36) PKMGSK3BSMN1; SMN2HPGDATM
SCHEMBL21543943 0.76 ALDH1A1 (0.40) PKMSMN1; SMN2HPGDATMPOLB
SCHEMBL3053745 0.76 PKM (0.67) PKMGSK3BSMN1; SMN2HPGDATM
SCHEMBL6979582 0.75 KMT2A (0.43) PKMGSK3BHPGDPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099907-A The Thienopyrroles derivative of targeting protein, composition, method and application thereof 拜欧赛里克斯公司 2019-08-06 CN disclosed
CN-109096274-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-28 CN disclosed
CN-108947913-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-07 CN disclosed
CN-106459002-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2018-08-21 CN disclosed
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 EP disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 PKM 2989/4885GSK3B 3533/4885SMN1; SMN2 4276/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 PKM 4619/4885GSK3B 4199/4885SMN1; SMN2 3894/4885

“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.