SCHEMBL21816552

SCHEMBL21816552

COc1ccc(F)cc1C(O)CO

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.50
ADRA2A P08913 1/20 0.50
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NFKB1 P19838 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL21816497 0.86 CYP3A4 (0.46) ADRA1AADRA2ATSHRCYP3A4PPARG
SCHEMBL23322870 0.86 ADRA1A (0.50) ADRA1AADRA2ATSHRCYP3A4ADRB2
SCHEMBL21816495 0.85 L3MBTL1 (0.39) ADRA1AADRA2ATSHRCYP3A4SMN1; SMN2
SCHEMBL21816455 0.83 FDPS (0.36) ADRA1AADRA2ATSHRCYP3A4SMN1; SMN2
SCHEMBL16737885 0.83 HTR2A (0.40) ADRA1AADRA2ACYP3A4ADRB2ADRB1
SCHEMBL16737884 0.83 HTR2A (0.40) ADRA1AADRA2ACYP3A4ADRB2ADRB1
SCHEMBL16953760 0.81 ADRA2A (0.38) ADRA1AADRA2APPARGPPARDPPARA
SCHEMBL18908543 0.81 ADRA2A (0.38) ADRA1AADRA2APPARGPPARDPPARA
SCHEMBL2588953 0.80 ADRA2A (0.45) ADRA1AADRA2AADRB2ADRB1ADRB3
SCHEMBL2592419 0.80 ADRA2A (0.45) ADRA1AADRA2AADRB2ADRB1ADRB3

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-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 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-20200102322-A1 CYANO SUBSTITUTED HETEROARYLPYRIMIDINONE DERIVATIVE, PREPARATION METHOD AND USE THEREOF ACACA, COASY, ACACB ADRA1A 2086/4885ADRA2A 3187/4885TSHR 4512/4885
US-11142531-B2 Cyano substituted heteroarylpyrimidinone derivative, preparation method and use thereof ACACA, COASY, ACACB ADRA1A 2086/4885ADRA2A 3187/4885TSHR 4512/4885

“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.