SCHEMBL20575945

SCHEMBL20575945

Cc1ccc(C(F)(F)F)cc1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.57
▸ RXRB P28702 3/20 0.57
▸ RXRG P48443 2/20 0.57
▸ AGBL2 Q5U5Z8 1/20 0.51
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ FFAR4 Q5NUL3 3/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ FFAR2 O15552 1/20 0.44
▸ PTGDR2 Q9Y5Y4 4/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ POLQ O75417 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 2/20 0.42

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
SCHEMBL30120956 1.00 RXRA (0.57) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL17899450 0.88 RXRA (0.72) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL11599008 0.84 RXRA (0.56) RXRARXRBRXRGNR1H4
SCHEMBL24651096 0.81 POLB (0.45) PPARGPPARDPPARA
SCHEMBL30120834 0.81 IDO1 (0.51) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL7999435 0.81 RXRA (0.48) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL5574328 0.81 CES2 (0.53) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL892902 0.81 IDO1 (0.51) RXRARXRBRXRGAGBL2PSEN1
SCHEMBL1060068 0.80 RXRA (0.46) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL11068250 0.80 RXRA (0.51) RXRARXRBRXRGAGBL2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382488-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-11-21 — — US disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
WO-2018222917-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-12-06 — — WO disclosed
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — 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-20240382488-A1 NEK7 INHIBITORS NEK7, NEK11, NEK2 RXRA 2874/4885RXRB 3018/4885RXRG 2180/4885
US-10392367-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 RXRA 3385/4885RXRB 3360/4885RXRG 3247/4885
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 RXRA 3385/4885RXRB 3360/4885RXRG 3247/4885

“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.

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