SCHEMBL16004404

SCHEMBL16004404

COC(=O)[C@@]1(F)C[C@@H]2CC[C@H]1O2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
SLC6A4 P31645 2/20 0.31

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
SCHEMBL15995035 1.00 MAPK1 (0.32) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL15995542 0.78 MAPK1 (0.41) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL17070162 0.77 MAPK1 (0.37) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL1811213 0.76 MAPK1 (0.32) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL9908345 0.76 MAPK1 (0.30) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL15995260 0.64
SCHEMBL16004403 0.64
SCHEMBL14476696 0.63 ALOX15 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL9908328 0.63 HSD11B1 (0.33) SLC6A4SLC6A3
SCHEMBL18185730 0.63 MAPK1 (0.50) MAPK1TP53NFKB1CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961748-B1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
EP-2961748-B1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-9492460-B2 Carbazole compounds useful as bromodomain inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-9492460-B2 Carbazole compounds useful as bromodomain inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-9492460-B2 Carbazole compounds useful as bromodomain inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
US-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
WO-2014134232-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 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 (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-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 MAPK1 2772/4885TP53 1357/4885NFKB1 2437/4885

“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.