SCHEMBL14717699

SCHEMBL14717699

O=C(NC(C(=O)O)C1CCCCC1)c1noc(-c2cnccc2C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ACKR3 P25106 2/20 0.40
KCNH2 Q12809 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
PYGL P06737 5/20 0.36
ABL1 P00519 1/20 0.36
PLAT P00750 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL14717695 1.00 GAA (0.41) GAAACKR3KCNH2CTSSCTSK
SCHEMBL6781999 0.76 DHODH (0.46) ABL1PLATCYP11B1CYP11B2
SCHEMBL6779800 0.75 KDM4E (0.40) ABL1PLAT
SCHEMBL14717483 0.75 ITGA4 (0.44)
SCHEMBL14717479 0.75 ITGA4 (0.44)
SCHEMBL6784970 0.72 HDAC4 (0.41) ABL1PLATCYP11B2
SCHEMBL6786662 0.68 HDAC4 (0.44) TSHRABL1PLAT
SCHEMBL6780315 0.68 ALDH1A1 (0.42) PLAT
SCHEMBL6782045 0.68 AKR1B1 (0.48) ABL1PLATCYP11B2
SCHEMBL329840 0.65 MAPT (0.54) GAACTSSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237060-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-08-18 US claimed
EP-3037417-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-29 EP claimed
US-20130053416-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 US claimed
US-9751858-B2 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2017-09-05 US disclosed
US-20160237060-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-08-18 US disclosed
EP-3037417-A2 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-06-29 EP disclosed
US-9353068-B2 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-31 US disclosed
US-20130053416-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 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-20160237060-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSV GAA 69/4885ACKR3 1350/4885KCNH2 3485/4885
US-20130053416-A1 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSV GAA 69/4885ACKR3 1616/4885KCNH2 3573/4885

“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.