SCHEMBL2989155

SCHEMBL2989155

CCOC(=O)Nc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
KCNQ2 O43526 3/20 0.46
KCNQ3 O43525 2/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL4422986 0.81 RXFP1 (0.43) POLBMAPT
SCHEMBL5127453 0.80 NPC1 (0.40) NPSR1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2748592 0.79 DYRK1A (0.44) ALDH1A1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL5111541 0.78 MEN1 (0.48) GAAPOLBALDH1A1KMT2ACYP1A2
SCHEMBL7471768 0.77 MAPT (0.59) GAAPOLBKCNQ2KCNQ3ALDH1A1
SCHEMBL5120153 0.76 MAPT (0.50) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7113815 0.75 LMNA (0.43) ALDH1A1L3MBTL1KMT2AMAPTCYP1A2
SCHEMBL2991244 0.75 KIF11 (0.51) KMT2A
SCHEMBL5111352 0.72 NPSR1 (0.44) GAANPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL2987276 0.72 PTPN5 (0.34) POLBALDH1A1KMT2AMAPTCYP1A2

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-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 GAA 4840/4885POLB 2294/4885KCNQ2 3910/4885

“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.