SCHEMBL12499503

SCHEMBL12499503

CCOC(=O)CC(N)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NLRP3 Q96P20 3/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL12499499 1.00 ALDH1A1 (0.44) ALDH1A1NLRP3TSHRKMT2AIDO1
SCHEMBL17857571 1.00 ALDH1A1 (0.44) ALDH1A1NLRP3TSHRKMT2AIDO1
Hydrochloric Acid SCHEMBL8618217 0.98 IDO1 (0.44) ALDH1A1NLRP3TSHRKMT2AIDO1
SCHEMBL5720819 0.90 ALDH1A1 (0.41) ALDH1A1NLRP3TSHRKMT2AIDO1
SCHEMBL5720874 0.87 TSHR (0.44) ALDH1A1TSHRKMT2ACYP1A2CYP2C19
SCHEMBL29219877 0.85 MAPT (0.45) ALDH1A1NLRP3TSHRKMT2AMAPT
SCHEMBL3224732 0.84 NLRP3 (0.44) ALDH1A1NLRP3TSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL381611 0.84 MEN1 (0.43) ALDH1A1KMT2AIDO1TDO2MAPT
Hydrochloric Acid SCHEMBL4599230 0.84 MEN1 (0.43) ALDH1A1KMT2AIDO1TDO2MAPT
SCHEMBL2320013 0.84 ALDH1A1 (0.47) ALDH1A1NLRP3TSHRKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN claimed
EP-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
CN-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed
US-9120783-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-09-01 US disclosed
US-9029559-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-05-12 US disclosed
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-07-10 US disclosed
US-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-15 US disclosed
US-8669370-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-11 US disclosed
EP-2667870-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 EP disclosed
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-04 US disclosed
WO-2012101197-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 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 (3 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-20140135328-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV ALDH1A1 829/4885NLRP3 956/4885TSHR 2933/4885
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV ALDH1A1 829/4885NLRP3 956/4885TSHR 2933/4885
US-20140194445-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV ALDH1A1 829/4885NLRP3 956/4885TSHR 2933/4885

“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.