SCHEMBL21144772

SCHEMBL21144772

CC(C)CC(O)C(Cc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
MAOB P27338 1/20 0.40
CCR1 P32246 3/20 0.40
ACACB O00763 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 2/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
FOLH1 Q04609 1/20 0.39
CTSC P53634 1/20 0.38
KCNH2 Q12809 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MME P08473 2/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL21144931 1.00 REN (0.41) RENMAOBCCR1ACACBMEN1
SCHEMBL21144769 1.00 REN (0.41) RENMAOBCCR1ACACBMEN1
SCHEMBL18930230 0.83 PSEN1 (0.51) RENCTSLCTSBCTSSCTSK
SCHEMBL21170204 0.83 PSEN1 (0.51) RENCTSLCTSBCTSSCTSK
SCHEMBL12783732 0.76 ACACB (0.45) ACACB
SCHEMBL12783323 0.76 ACACB (0.45) ACACB
SCHEMBL6340455 0.75 REN (0.58) RENACEMME
SCHEMBL2185334 0.75 SPPL2A (0.56) KCNH2
SCHEMBL2185330 0.75 SPPL2A (0.56) KCNH2
SCHEMBL21144896 0.75 ACE (0.42) MAOBACACBMEN1KMT2AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L REN 3870/4885MAOB 1713/4885CCR1 4625/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L REN 3870/4885MAOB 1713/4885CCR1 4625/4885

“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.