SCHEMBL5115340

SCHEMBL5115340

CCOC(=O)Nc1c[c]cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ SLC13A3 Q8WWT9 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KCNQ3 O43525 2/20 0.40

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
SCHEMBL7021855 0.85 SMN1; SMN2 (0.47) KDM4ESLC13A3ALDH1A1L3MBTL1LMNA
SCHEMBL7011306 0.83 TRPV1 (0.45) SLC13A3GAAALDH1A1L3MBTL1GPR35
SCHEMBL7016497 0.82 SLC13A3 (0.42) SLC13A3GAAGPR35LMNAMAPT
SCHEMBL7016001 0.81 MGLL (0.52) SLC13A3GAAALDH1A1MAPTNPC1
SCHEMBL686791 0.81 RXFP1 (0.48) SLC13A3L3MBTL1GPR35LMNAMAPT
SCHEMBL2894937 0.79 KIF11 (0.46) L3MBTL1GPR35LMNAMAPTMAPK1
SCHEMBL7565660 0.78 SMN1; SMN2 (0.62) GAAALDH1A1L3MBTL1LMNAMAPT
SCHEMBL7471768 0.77 MAPT (0.59) KDM4EGAAALDH1A1L3MBTL1LMNA
SCHEMBL5119693 0.76 KDM4E (0.55) KDM4ESLC13A3GAAALDH1A1L3MBTL1
SCHEMBL2902567 0.76 L3MBTL1 (0.47) GAAALDH1A1L3MBTL1GPR35LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 — — US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 — — US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 — — US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 — — 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4271/4885SLC13A3 509/4885GAA 3552/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KDM4E 4236/4885SLC13A3 523/4885GAA 3698/4885

“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.

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