SCHEMBL2221132

SCHEMBL2221132

COC(=O)[C@H](C)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1968848 1.00 NAAA (0.48) NAAAMAPTRAB9AHDAC1HDAC6
SCHEMBL584760 0.90 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL584761 0.90 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2384186 0.90 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1966776 0.86 LMNA (0.55) NAAAMAPTRAB9AGAACYP1A2
SCHEMBL3260466 0.85 GAA (0.57) TSHRGAACYP1A2CYP2C9PKM
SCHEMBL1973572 0.85 GAA (0.57) TSHRGAACYP1A2CYP2C9PKM
SCHEMBL2218816 0.83 SMPD1 (0.46)
SCHEMBL12437213 0.83 PPARG (0.47) NAAAMAPTTSHRALDH1A1HPGD
SCHEMBL1968068 0.83 PPARG (0.47) NAAAMAPTTSHRALDH1A1HPGD

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
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-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

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 NAAA 53/4885MAPT 4467/4885RAB9A 1982/4885
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents HCAR1, HDAC1, H1-0 NAAA 51/4885MAPT 4466/4885RAB9A 1955/4885

“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.