SCHEMBL314656

SCHEMBL314656

CCOc1ccc(C(C)=O)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.60
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 2/20 0.56
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30440465 1.00 CREBBP (0.60) CREBBPRXRARXRBRXRGTHRA
SCHEMBL30440212 0.88 THRA (0.56) CREBBPRXRARXRBRXRGTHRA
SCHEMBL17386686 0.88 THRA (0.56) CREBBPRXRARXRBRXRGTHRA
SCHEMBL312486 0.88 CREBBP (0.56) CREBBPRXRARXRBRXRGCYP1A2
SCHEMBL313614 0.88 CYP2C9 (0.48) CREBBPRXRARXRBRXRGTHRA
SCHEMBL1402196 0.88 TSHR (0.60) CREBBPRXRARXRBRXRGTHRA
SCHEMBL16960225 0.87 RXRA (0.51) CREBBPRXRARXRBRXRGTHRA
SCHEMBL17407193 0.87 THRA (0.61) CREBBPRXRARXRBRXRGTHRA
SCHEMBL17339621 0.86 RXRA (0.54) CREBBPRXRARXRBRXRGTHRA
SCHEMBL10323654 0.85 RXRA (0.45) CREBBPRXRARXRBRXRGTHRA

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845490-B 2-acylaminothiazole derivative or salt thereof 旭飞药业股份有限公司 2023-03-28 CN disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 US disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 US disclosed
CN-110845490-A 2-acylaminothiazole derivative or salt thereof 安斯泰来制药株式会社 2020-02-28 CN disclosed
CN-106414438-B 2-acylaminothiazole derivative or salt thereof 安斯泰来制药株式会社 2019-12-31 CN disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
EP-3153511-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF BLADDER/URINARY TRACT DISEASES ASTELLAS PHARMA INC (JP) 2019-05-15 EP disclosed
EP-3153511-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF BLADDER/URINARY TRACT DISEASES ASTELLAS PHARMA INC (JP) 2019-05-15 EP disclosed
US-9951060-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2018-04-24 US disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 US disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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 (4 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 CREBBP 1528/4885RXRA 1978/4885RXRB 1980/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CREBBP 1394/4885RXRA 1882/4885RXRB 1581/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 CREBBP 1236/4885RXRA 113/4885RXRB 108/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 CREBBP 2377/4885RXRA 598/4885RXRB 534/4885

“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.