SCHEMBL2752070

SCHEMBL2752070

FC(F)(F)c1cc(-c2co[c]n2)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
IKBKB O14920 1/20 0.33
RXRA P19793 4/20 0.33
RXRB P28702 4/20 0.33
RXRG P48443 4/20 0.33
NOTUM Q6P988 1/20 0.32
CES2 O00748 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
PPARG P37231 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
SCHEMBL17028965 0.83 IDO1 (0.49) KDM1ACTSSNOTUM
SCHEMBL2098115 0.81 KIF11 (0.44) KDM1ANOTUM
SCHEMBL2752123 0.75 NOTUM (0.31) NOTUM
SCHEMBL2751446 0.74 NOTUM (0.47) RXRARXRBRXRGNOTUM
SCHEMBL2752818 0.71 ALOX5AP (0.41) CES2
SCHEMBL2751339 0.71 CES2 (0.37) KDM1ANOTUMCES2
SCHEMBL2751647 0.71 KMO (0.33) KDM1A
SCHEMBL2753968 0.70 TEAD1 (0.32) MAPT
SCHEMBL2753599 0.68 CTSS (0.41) KDM1AS1PR1S1PR3CTSSCTSK
SCHEMBL9482063 0.67 RXRA (0.54) S1PR1S1PR3IKBKBRXRARXRB

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 KDM1A 861/4885S1PR1 1033/4885S1PR3 794/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 KDM1A 293/4885S1PR1 1473/4885S1PR3 820/4885

“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.