SCHEMBL21995301

SCHEMBL21995301

[CH2]C(F)(F)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
CYP3A4 P08684 4/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 3/20 0.46
HSD17B10 Q99714 2/20 0.41
IDO1 P14902 1/20 0.37
PDK2 Q15119 2/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AHR P35869 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HSD11B1 P28845 1/20 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
SCHEMBL107751 0.83 TSHR (0.62) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL29403188 0.83 TSHR (0.62) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL3654239 0.81 TSHR (0.60) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL3758483 0.80 CYP3A4 (0.43) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL21995414 0.80 CYP3A4 (0.39) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL16211981 0.79 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL31740316 0.79 TSHR (0.58) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL2270300 0.77 CYP3A4 (0.50) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL5423724 0.76 TSHR (0.54) TSHRCYP3A4TDP1MAPK1TP53
SCHEMBL1845000 0.75 TSHR (1.00) TSHRCYP3A4TDP1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
WO-2021239766-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-02 WO disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 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 (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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX TSHR 4435/4885CYP3A4 180/4885TDP1 2571/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB TSHR 1426/4885CYP3A4 61/4885TDP1 1090/4885

“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.