SCHEMBL1963196

SCHEMBL1963196

CC(C)Oc1ncc(C(=O)O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.42
POLB P06746 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TTR P02766 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TPMT P51580 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
GABRA5 P31644 1/20 0.38
GCK P35557 5/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
HCAR3 P49019 1/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1962687 0.84 GABRA5 (0.46) KMT2APOLBGABRA5ALDH1A1
SCHEMBL13583685 0.84 CA12 (0.44) KMT2AGABRA5ALDH1A1
SCHEMBL1179046 0.82 KMT2A (0.43) KMT2AXDHHCAR2RXRARXRB
SCHEMBL31133274 0.81 TPMT (0.49) KMT2APOLBHCAR2TTRTPMT
SCHEMBL1809302 0.81 TPMT (0.49) KMT2APOLBHCAR2TTRTPMT
SCHEMBL21191122 0.81 NR1H4 (0.46) XDHHCAR2RXRAGABRA5GCK
SCHEMBL1420763 0.81 KCNQ3 (0.42) KMT2AXDHHCAR2RXRARXRB
SCHEMBL404384 0.81 RORC (0.45) KMT2AXDHHCAR2TTRTPMT
SCHEMBL3951117 0.81 TPMT (0.44) KMT2AXDHHCAR2TPMTRXRA
SCHEMBL12582009 0.81 KMT2A (0.42) KMT2AXDHHCAR2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116295-A1 TRICYCLIC COMPOUNDS AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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 (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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 KMT2A 4427/4885XDH 2785/4885POLB 4331/4885

“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.