SCHEMBL2750874

SCHEMBL2750874

Cc1cccc(C)c1-c1c[c]ccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
GRIA1 P42261 3/20 0.34
CACNG8 Q8WXS5 3/20 0.34
CD44 P16070 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
FFAR1 O14842 1/20 0.33
SRC P12931 2/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
BRD4 O60885 1/20 0.31
FABP4 P15090 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28460000 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1369576 0.83 CYP1A2 (0.32) CYP1A2CYP2A6FFAR1
SCHEMBL28592114 0.82 CYP2A6 (0.32) CYP2A6CYP3A4
SCHEMBL3537454 0.80 TSHR (0.49) TSHRCYP3A4ALDH1A1ACHETDP1
SCHEMBL2752419 0.78 GRIA1 (0.34) GRIA1CACNG8CYP1A2CYP2A6TSHR
SCHEMBL2752843 0.78 PDCD1 (0.35) HTR7CYP1A2CYP2A6FFAR1TSHR
SCHEMBL7955913 0.77 NOS3 (0.33) CYP2A6BRD4
SCHEMBL2246696 0.77 GRIA1 (0.40) HTR7GRIA1CACNG8CD44CYP1A2
SCHEMBL1370107 0.77 HTR7 (0.40) HTR7GRIA1CACNG8TSHRCA1
SCHEMBL15987648 0.76 TSHR (0.44) CYP1A2CYP2A6TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 HTR7 4546/4885GRIA1 3419/4885CACNG8 4412/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HTR7 4279/4885GRIA1 3800/4885CACNG8 2838/4885

“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.