SCHEMBL3418906

SCHEMBL3418906

CC(C)(C)OC(=O)NCc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.64
LMNA P02545 5/20 0.62
ALDH1A1 P00352 4/20 0.58
USP28 Q96RU2 1/20 0.58
USP25 Q9UHP3 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
PTGER1 P34995 4/20 0.49
CYP1A2 P05177 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL30101799 0.88 CCR5 (0.50) CCR5LMNAALDH1A1USP28USP25
SCHEMBL30101804 0.87 MEN1 (0.51) CCR5LMNAALDH1A1USP28USP25
SCHEMBL6681179 0.86 CYP2C9 (0.47) CCR5LMNAALDH1A1USP28USP25
SCHEMBL30101842 0.86 CCR5 (0.47) CCR5LMNAALDH1A1USP28USP25
SCHEMBL30101745 0.85 CCR5 (0.53) CCR5LMNAALDH1A1USP28USP25
SCHEMBL3416114 0.85 USP28 (0.61) CCR5LMNAALDH1A1USP28USP25
SCHEMBL30101803 0.84 ALDH1A1 (0.48) CCR5LMNAALDH1A1RAB9AHTT
SCHEMBL20869029 0.84 ALDH1A1 (0.48) CCR5LMNAALDH1A1RAB9AHTT
SCHEMBL6330920 0.84 MRGPRX4 (0.47) CCR5LMNAPTGER1
SCHEMBL16410244 0.83 CFD (0.48) CCR5LMNAALDH1A1USP28USP25

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR CCR5 1118/4885LMNA 1778/4885ALDH1A1 1626/4885

“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.