SCHEMBL4908541

SCHEMBL4908541

CCOC(=O)c1c(COc2ccc(F)cc2)c2cnccc2n1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MMP13 P45452 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ELANE P08246 3/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 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
SCHEMBL4910742 0.86 ELANE (0.41) MAPTNPC1ALDH1A1ELANEKDM4E
SCHEMBL4913829 0.86 TUBB4A (0.37) MAPTKDM4ETUBB4ATUBBTUBA3C
SCHEMBL4911188 0.85 ELANE (0.40) MAPTELANEKDM4EPKMTUBB4A
SCHEMBL4904952 0.81 ELANE (0.48) MAPTNPC1ALDH1A1ELANEKDM4E
SCHEMBL4906422 0.75 ELANE (0.40) MAPTALDH1A1ELANEKDM4EPKM
SCHEMBL1684203 0.73 POLB (0.40) NPC1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4915082 0.71 MAPT (0.41) MAPTNPC1ALDH1A1POLB
SCHEMBL1920301 0.70 MAP2K1 (0.47) ELANE
SCHEMBL7413498 0.68 AKR1C3 (0.52) MAPTALDH1A1ELANEKDM4EPKM
SCHEMBL4912177 0.68 SGMS2 (0.42) NPC1ALDH1A1KDM4ENPSR1SMN1; SMN2

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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAPT 1998/4885NPC1 1245/4885NLRP3 3254/4885

“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.