SCHEMBL956763

SCHEMBL956763

CC1(C)OC(=O)C(C(=O)CCc2ccccc2F)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 3/20 0.36
ADORA2B P29275 1/20 0.36
ACKR3 P25106 1/20 0.36
AOC3 Q16853 1/20 0.35
RIPK1 Q13546 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL31048975 0.86 BACE1 (0.42) BACE1ALDH1A1CASP3CASP7SMN1; SMN2
SCHEMBL3943900 0.84 CASP3 (0.39) BACE1ALDH1A1CASP3CASP7TAAR1
SCHEMBL3941852 0.82 MTNR1A (0.44) CASP3CASP7TAAR1
SCHEMBL3944646 0.81 FFAR1 (0.37) BACE1ALDH1A1KMT2ACASP3
SCHEMBL5642127 0.78 BACE1 (0.42) BACE1ALDH1A1NPSR1GLA
SCHEMBL12290424 0.73 NPSR1 (0.41) BACE1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7993318 0.73 BACE1 (0.51) BACE1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5639921 0.72 BACE1 (0.61) BACE1NPSR1TAAR1GLA
SCHEMBL9869709 0.72 CASP3 (0.41) ALDH1A1MEN1KMT2ACASP3CASP7
SCHEMBL20826897 0.71 KDM4E (0.50) BACE1ALDH1A1NPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 BACE1 3156/4885ALDH1A1 1082/4885MEN1 4143/4885

“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.