SCHEMBL21030751

SCHEMBL21030751

CC(C)c1ccc(OC(F)F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SLC6A4 P31645 1/20 0.38
PDE4A P27815 4/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDE2A O00408 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
TRPA1 O75762 1/20 0.35
SYK P43405 1/20 0.34
FFAR1 O14842 1/20 0.34
CASR P41180 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
BACE1 P56817 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL13678314 0.88 RXRA (0.49) RXRARXRBRXRGSLC6A4AKR1C3
SCHEMBL13499051 0.85 S1PR1 (0.41) RXRARXRBRXRGSLC6A4AKR1C3
SCHEMBL17718742 0.84 AKR1C3 (0.38) RXRARXRBRXRGSLC6A4AKR1C3
SCHEMBL13523269 0.82 PDE2A (0.43) RXRARXRBRXRGSLC6A4AKR1C3
SCHEMBL2662354 0.82 AKR1C3 (0.46) AKR1C3AKR1C2CASR
SCHEMBL13499050 0.82 RXRA (0.39) RXRARXRBRXRGSLC6A4AKR1C3
SCHEMBL23717311 0.80 PDE4A (0.46) PDE4A
SCHEMBL17718747 0.79 AR (0.42) SLC6A4FFAR1
SCHEMBL21032256 0.79 SYK (0.53) RXRARXRBRXRGSLC22A12TRPA1
SCHEMBL11951621 0.78 RXRA (0.48) RXRARXRBRXRGCTSSCTSK

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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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 (2 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO RXRA 2984/4885RXRB 2947/4885RXRG 3351/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO RXRA 2984/4885RXRB 2947/4885RXRG 3351/4885

“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.