SCHEMBL2218979

SCHEMBL2218979

COC(=O)C(C)(CO)OCc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 2/20 0.44
MAOB P27338 2/20 0.43
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38
ATM Q13315 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
SCHEMBL11118301 0.88 POLB (0.44) KMT2AALDH1A1MAOBSMPD1KDM4E
SCHEMBL13994548 0.83 KMT2A (0.50) KMT2AALDH1A1MAOBSMPD1KDM4E
SCHEMBL2223083 0.82 MAPT (0.47) SMPD1MAPT
SCHEMBL2218387 0.80 KMT2A (0.39) KMT2AALDH1A1MAOBSMPD1KDM4E
SCHEMBL2218889 0.79 KMT2A (0.41) KMT2AALDH1A1MAOBSMPD1KDM4E
SCHEMBL2218188 0.77 KMT2A (0.40) KMT2AALDH1A1MAOBSMPD1KDM4E
SCHEMBL2012044 0.76 DGAT1 (0.48)
SCHEMBL11121410 0.75 RXRA (0.46) KMT2AALDH1A1MAOBKDM4EMEN1
SCHEMBL11123940 0.73 OPRK1 (0.49) KMT2AALDH1A1MAOBKDM4EMEN1
SCHEMBL11118307 0.73 MEN1 (0.44) KMT2AALDH1A1MAOBMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 US disclosed
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents PFIZER INC. (US) 2011-07-21 US disclosed
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents PFIZER INC. (US) 2011-07-21 US disclosed
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents PFIZER INC. (US) 2011-07-21 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 (2 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-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents HCAR1, H1-0, HDAC1 KMT2A 708/4885ALDH1A1 272/4885MAOB 265/4885
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents HCAR1, HDAC1, H1-0 KMT2A 681/4885ALDH1A1 222/4885MAOB 275/4885

“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.