SCHEMBL696089

SCHEMBL696089

C=CCNC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CNR1 P21554 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL696088 1.00 HPGD (0.43) HPGDHSD17B10ATML3MBTL1HDAC4
SCHEMBL30368057 0.85 FOLH1 (0.44) ATML3MBTL1POLBCYP2C19KMT2A
SCHEMBL11306349 0.85 CYP2C19 (0.51) HPGDATMHDAC4HDAC7HDAC5
SCHEMBL694960 0.83 L3MBTL1 (0.47) HPGDHSD17B10L3MBTL1HDAC4HDAC7
SCHEMBL694959 0.83 L3MBTL1 (0.47) HPGDHSD17B10L3MBTL1HDAC4HDAC7
SCHEMBL5694474 0.78 CYP2C9 (0.46) HSD17B10HDAC4HDAC7HDAC5POLB
SCHEMBL30063731 0.75 KMT2A (0.50) HPGDHSD17B10KMT2ALMNA
SCHEMBL29228705 0.74 ATM (0.52) ATML3MBTL1CYP2C19CYP1A2KMT2A
Hydrochloric Acid SCHEMBL8845034 0.74 MEN1 (0.49) HDAC4HDAC7HDAC5CYP2C19CYP3A4
SCHEMBL11344160 0.73 HDAC3 (0.48) HPGDL3MBTL1POLBCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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 (1 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 HPGD 346/4885HSD17B10 1826/4885ATM 3901/4885

“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.