SCHEMBL2317895

SCHEMBL2317895

O=C(O)c1cc(O)n(-c2c(F)cccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RPA1 P27694 4/20 0.43
ALDH1A1 P00352 2/20 0.41
PPP1CA P62136 3/20 0.40
ALB P02768 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MARS1 P56192 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2317269 0.83 ALDH1A1 (0.48) KMT2AMEN1RPA1ALDH1A1MAPT
SCHEMBL2320708 0.80 KMT2A (0.50) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL955390 0.79 KMT2A (0.50) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL954786 0.79 KMT2A (0.50) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL1143854 0.78 RPA1 (0.67) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL25427678 0.77 KMT2A (0.41) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL2319936 0.76 RPA1 (0.54) KMT2AMEN1RPA1PPP1CAATM
SCHEMBL2320846 0.75 KMT2A (0.46) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL2320889 0.75 KMT2A (0.50) KMT2AMEN1RPA1ALDH1A1PPP1CA
SCHEMBL2319966 0.74 PPP1CA (0.68) KMT2AMEN1RPA1ALDH1A1PPP1CA

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
CN-102884052-B O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use SAI NUOFEI (FR) 2015-10-21 CN disclosed
EP-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 EP disclosed
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-05-08 US disclosed
US-8664257-B2 Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-04 US disclosed
US-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-21 US disclosed
EP-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 EP disclosed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 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-20130046004-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE KMT2A 4267/4885MEN1 4729/4885RPA1 4448/4885
US-20140128616-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSE KMT2A 4267/4885MEN1 4729/4885RPA1 4448/4885

“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.