SCHEMBL14944320

SCHEMBL14944320

CC(N)c1occc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.35
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22068404 0.85 KMT2A (0.41) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL18472951 0.84 KMT2A (0.46) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL12000680 0.79 KMT2A (0.42) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL22068407 0.70 HPGD (0.43) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL25332979 0.69 L3MBTL1 (0.42) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL2039550 0.69
SCHEMBL757449 0.69
SCHEMBL16414606 0.68 HPGD (0.41) KMT2ATP53ALDH1A1HPGDHTT
SCHEMBL15592326 0.68 TP53 (0.50) KMT2ATP53ALDH1A1HPGDL3MBTL1
SCHEMBL22068405 0.68 HPGD (0.42) KMT2ATP53ALDH1A1HPGDL3MBTL1

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-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R KMT2A 3948/4885TP53 4036/4885ALDH1A1 3061/4885

“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.