SCHEMBL18511684

SCHEMBL18511684

CC(=O)c1cccc(C(C)(C)C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.38
TSHR P16473 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK2 Q15119 3/20 0.37
P2RX7 Q99572 5/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PDK1 Q15118 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35

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
SCHEMBL13145651 0.85 TSHR (0.57) CA2CTSSCTSKTSHRGABRA1
SCHEMBL30562236 0.83 CTSS (0.56) CTSSCTSKP2RX7
SCHEMBL9524633 0.83 CTSS (0.56) CTSSCTSKP2RX7
SCHEMBL83324 0.82 LMNA (0.37) TSHRALDH1A1TDP1NR1H4
SCHEMBL8406964 0.82 LMNA (0.37) TSHRALDH1A1TDP1NR1H4
SCHEMBL8376687 0.81 CA2 (0.41) CA2CTSSCTSKTSHRGABRA1
SCHEMBL3781319 0.81 TSHR (0.48) TSHRALDH1A1PDK2TAS1R3TAS1R1
SCHEMBL24252064 0.80 CTSS (0.47) CA2CTSSCTSKALDH1A1PDK2
SCHEMBL21258125 0.80 PDK1 (0.40) CA2CTSSCTSKTSHRGABRA1
SCHEMBL13145647 0.80 MEN1 (0.42) CA2CTSSCTSKALDH1A1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745286-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-08-29 US disclosed
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 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-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CA2 1571/4885CTSS 4232/4885CTSK 1770/4885

“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.