SCHEMBL660758

SCHEMBL660758

C[CH]c1nccc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.48
NOS3 P29474 3/20 0.48
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
UHRF1 Q96T88 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19660068 0.82 NOS3 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21649892 0.82 NOS3 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL9160147 0.81 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2085241 0.79 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL24465856 0.76 NOS3 (0.43) NOS2NOS3CCR1CCR5CCR8
SCHEMBL14878068 0.76 NOS3 (0.43) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21649995 0.73 NOS3 (0.41) NOS2NOS3CCR1CCR5CCR8
SCHEMBL661299 0.71
SCHEMBL18782544 0.71 NOS3 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL28991160 0.70

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
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA NOS2 939/4885NOS3 1223/4885CCR1 1447/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD NOS2 2368/4885NOS3 1654/4885CCR1 967/4885

“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.