SCHEMBL581068

SCHEMBL581068

COC(=O)C1CCNC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
P2RY14 Q15391 1/20 0.41
MAPT P10636 2/20 0.40
HTR2C P28335 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM1A O60341 2/20 0.38
HDAC11 Q96DB2 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL4505964 1.00 TDP1 (0.44) TDP1MAPK1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL4504270 0.99 TDP1 (0.44) TDP1MAPK1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL581053 0.87 SLC6A2 (0.48) ALDH1A1GAAMAPTCYP3A4SLC6A2
SCHEMBL581037 0.86 GUSB (0.47) ALDH1A1POLBGAAMAPTHTR2C
SCHEMBL581617 0.85 SLC6A3 (0.47) SLC6A2
SCHEMBL2866707 0.84 NOTUM (0.45) P2RY14HTR2CKDM1A
SCHEMBL2866703 0.84 NOTUM (0.45) P2RY14HTR2CKDM1A
SCHEMBL2866701 0.84 NOTUM (0.45) P2RY14HTR2CKDM1A
Hydrochloric Acid SCHEMBL581702 0.83 HTR2A (0.37) TDP1MAPK1KDM4EALDH1A1POLB
SCHEMBL3063445 0.83 KDM1A (0.42) KDM1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 TDP1 3355/4885MAPK1 1966/4885KDM4E 2668/4885

“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.