SCHEMBL18920569

SCHEMBL18920569

N[C@@H](CO)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.73
ENPEP Q07075 3/20 0.73
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
FOLH1 Q04609 4/20 0.47
EPHX1 P07099 1/20 0.45
MMP2 P08253 2/20 0.45
TPH1 P17752 1/20 0.45
SLC7A5 Q01650 1/20 0.44
DPP4 P27487 1/20 0.43
SRD5A2 P31213 1/20 0.43
ACACB O00763 1/20 0.43

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
Hydrochloric Acid SCHEMBL18920610 0.98 ANPEP (0.71) ANPEPENPEPALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL21144830 0.98 ANPEP (0.71) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL8099973 0.85 ANPEP (0.69) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL18930227 0.84 ANPEP (0.53) ANPEPENPEPALDH1A1TSHREPHX1
SCHEMBL29098741 0.83 ANPEP (0.67) ANPEPENPEPALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL21144942 0.82 ANPEP (0.51) ANPEPENPEPALDH1A1TSHRTPH1
Hydrochloric Acid SCHEMBL21144940 0.82 ANPEP (0.51) ANPEPENPEPALDH1A1TSHRTPH1
SCHEMBL18307031 0.82 KMT2A (0.55) ANPEPENPEPALDH1A1TPH1SLC7A5
SCHEMBL27077444 0.82 ANPEP (0.65) ANPEPENPEPALDH1A1TP53TSHR
SCHEMBL6188688 0.80 ANPEP (0.74) ANPEPENPEPFOLH1SLC7A5

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-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
EP-3383865-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma Aktiengesellschaft (DE) 2018-10-10 EP disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 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 (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 ANPEP 3136/4885ENPEP 4174/4885ALDH1A1 1538/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ANPEP 3136/4885ENPEP 4174/4885ALDH1A1 1538/4885

“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.