SCHEMBL18150779

SCHEMBL18150779

O=C1COC[C@H](c2ccccc2OC(F)F)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.39
NR1I2 O75469 1/20 0.39
TSHR P16473 5/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.37
PKM P14618 1/20 0.36
ADRA1A P35348 1/20 0.36
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL16796809 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL16796807 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL25238773 0.86 ATM (0.47) ALDH1A1KDM4EKMT2ATSHRTP53
SCHEMBL20323376 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL18151062 0.82 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2ATSHRPKM
SCHEMBL18151063 0.82 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2ATSHRPKM
SCHEMBL16796941 0.79 ATM (0.47) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL16796850 0.79 ATM (0.47) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL16796852 0.79 ATM (0.47) ALDH1A1KDM4EKMT2ANR1I2TSHR
SCHEMBL18151534 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885KMT2A 4542/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885KMT2A 4542/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885KMT2A 4542/4885

“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.