SCHEMBL6571564

SCHEMBL6571564

CC(C)(C)OC(=O)OC(=O)CCCc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
PDPK1 O15530 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
NAAA Q02083 1/20 0.40
NR1H2 P55055 1/20 0.40
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
FKBP1A P62942 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL29059942 0.81 CYP1A2 (0.53) CYP1A2HDAC1HDAC8PDPK1CYP2D6
SCHEMBL17260640 0.79 CYP1A2 (0.67) CYP1A2HDAC1HDAC8SIGMAR1CYP2D6
SCHEMBL6771529 0.77 CYP1A2 (0.63) CYP1A2HDAC1HDAC8SIGMAR1CYP2D6
SCHEMBL20898006 0.76 HDAC1 (0.62) CYP1A2HDAC1HDAC8PDPK1CYP2D6
SCHEMBL9753260 0.76 EPHX1 (0.41) CYP2C19CTSBCTSSCTSKKDM4E
SCHEMBL17578809 0.75 HDAC1 (0.65) CYP1A2HDAC1HDAC8SIGMAR1HCAR2
SCHEMBL27862045 0.75 CYP1A2 (0.69) CYP1A2HDAC1HDAC8SIGMAR1PDPK1
SCHEMBL2914935 0.75 L3MBTL1 (0.49) CYP1A2CTSBCTSSCTSKSLC6A3
SCHEMBL5182845 0.74 CYP1A2 (0.73) CYP1A2HDAC1HDAC8SIGMAR1PDPK1
SCHEMBL7356219 0.73 HTR2A (0.51) CTSBCTSSCTSK

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-1224164-B1 HYDROXAMIC ACID DERIVATIVE AS INHIBITOR OF THE FORMATION OF SOLUBLE HUMAN CD23 SMITHKLINE BEECHAM PLC (GB) 2004-12-08 EP disclosed
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP disclosed
US-20040077727-A1 Hydroxamic acid derivative as inhibitor of the formation of soluble human CD23 SMITHKLINE BEECHAM P.L.C. 2004-04-22 US disclosed
US-6673965-B1 AUTOIMMUNE DISEASE, INFLAMMATION, ALLERGY; IN-VIVO ABSORPTION BIOAVAILABILITY VIA THE ORAL ROUTE; DEPROTECTING, REACTING WITH HYDROXYLAMINE; N'-(4-(N-HYDROXYAMINO)-3S-ISOPROPOXY-2R-(2-NAPHTHYLMETHYL) SUCCINYL)-S-TERT-LEUCINE METHYLAMIDE SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-06 US disclosed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US disclosed
EP-1089963-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2001-04-11 EP disclosed
WO-1999067201-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 1999-12-29 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-20040077727-A1 Hydroxamic acid derivative as inhibitor of the formation of soluble human CD23 CD2, CD22, CD2BP2 CYP1A2 3133/4885HDAC1 54/4885HDAC8 961/4885

“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.