SCHEMBL6809925

SCHEMBL6809925

CCc1c(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)ccc(-c2cccc(C(=O)O)c2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36
LMNA P02545 1/20 0.35
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 3/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
BLM P54132 1/20 0.34
PPP1CA P62136 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL6805115 0.90 APAF1 (0.37) CNR1AKR1C3AKR1C2MMEMMEL1
SCHEMBL6677982 0.81 ESR1 (0.40) MMEMMEL1ESR1KCNH2ACACB
SCHEMBL6805113 0.77 SYK (0.43) ESR1KCNH2KMT2AMEN1ACACB
SCHEMBL6809919 0.76 ACACB (0.45) LMNAESR1KCNH2ACACB
SCHEMBL6809922 0.76 RORC (0.36) CNR1ESR1KCNH2ACACBABCC9
SCHEMBL7065062 0.75 SYK (0.40) MMEESR1KCNH2KMT2AMEN1
SCHEMBL6810003 0.74 CA1 (0.39) KMT2AAPAF1TDP2NSD2POLB
SCHEMBL6677082 0.74 ACACB (0.50) ADRB1ADRB3ESR1KCNH2KMT2A
SCHEMBL6676495 0.74 ALDH1A1 (0.47) CNR1AKR1C3LMNAADRB1ADRB3
SCHEMBL6806687 0.72 CNR1 (0.51) CNR1ESR1KCNH2ACACBABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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 (1 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CNR1 112/4885AKR1C3 383/4885AKR1C2 167/4885

“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.