SCHEMBL1709292

SCHEMBL1709292

CC(C)(C)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
HDAC6 Q9UBN7 1/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
SMO Q99835 1/20 0.56
LMNA P02545 4/20 0.56
KMT2A Q03164 1/20 0.54
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
MAOB P27338 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL1709361 0.84 RIPK1 (0.71) HPGDHDAC6SMOLMNAKMT2A
SCHEMBL24306039 0.84 HPGD (0.59) HPGDHDAC6LMNAKMT2APLA2G1B
SCHEMBL14253969 0.83 HDAC6 (0.65) HPGDHDAC6CA1CA2CA7
SCHEMBL18701732 0.82 HPGD (0.59) HPGDLMNARAB9AALDH1A1POLB
SCHEMBL2580217 0.81 CA1 (0.66) HDAC6CA1CA2CA7CA14
SCHEMBL1709264 0.81 MEN1 (0.63) HPGDHDAC6CA1CA2CA7
SCHEMBL6922051 0.81 CA1 (0.66) HPGDHDAC6CA1CA2CA7
SCHEMBL4963071 0.81 LMNA (0.56) HPGDLMNAKMT2APLA2G1BATG4B
SCHEMBL29037519 0.81 HDAC6 (0.68) HDAC6CA1CA2CA7CA14
SCHEMBL1516186 0.81 RIPK1 (0.71) HDAC6CA1CA2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-5869518-A USEFUL IN THE TREATMENT OF OBESITY AND HYPERGLYCEMIA SYNTHELABO (FR) 1999-02-09 US disclosed
EP-0823912-A1 AZACYCLOALCANE DERIVATIVES, PREPARATION THEREOF AND THEIR APPLICATIONS IN THERAPY SYNTHELABO (FR) 1998-02-18 EP disclosed
WO-1996034870-A1 AZACYCLOALCANE DERIVATIVES, PREPARATION THEREOF AND THEIR APPLICATIONS IN THERAPY SYNTHELABO (FR) 1996-11-07 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 (7 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO HPGD 500/4885HDAC6 1696/4885CA1 3499/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 HPGD 2492/4885HDAC6 1325/4885CA1 3154/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HPGD 36/4885HDAC6 3771/4885CA1 3605/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 HPGD 4485/4885HDAC6 783/4885CA1 4853/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 HPGD 1204/4885HDAC6 22/4885CA1 1652/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO HPGD 500/4885HDAC6 1696/4885CA1 3499/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HPGD 1204/4885HDAC6 22/4885CA1 1652/4885

“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.