SCHEMBL19916256

SCHEMBL19916256

Cc1c(OCCCNC[C@H](O)CO)cccc1-c1cccc(OCCCNC[C@H](O)CO)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.50
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
CD274 Q9NZQ7 3/20 0.42
HTR1B P28222 1/20 0.42
PDCD1 Q15116 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
GRK3 P35626 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
SCHEMBL19897549 1.00 ADRB2 (0.50) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL19897525 0.95 ADRB2 (0.46) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL19897526 0.95 ADRB2 (0.46) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL19897847 0.88 KDM4E (0.57) ADRB2KDM4EALDH1A1KMT2ATDP1
SCHEMBL19937843 0.88 LMNA (0.48) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29615149 0.87 LMNA (0.50) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23167160 0.87 ALDH1A1 (0.44) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL29772015 0.87 ALDH1A1 (0.44) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL23167159 0.87 ALDH1A1 (0.44) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL19897923 0.86 ADRB2 (0.44) ADRB2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 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-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 ADRB2 3242/4885KDM4E 4249/4885ALDH1A1 1130/4885

“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.