SCHEMBL6412357

SCHEMBL6412357

CC1(C)OC(=O)C(=CC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)O1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TP53 P04637 3/20 0.54
THRB P10828 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.47
GFER P55789 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL6412353 1.00 MAPT (0.55) MAPTTP53THRBGAALMNA
SCHEMBL6414556 0.81 MAPK14 (0.40) MAPTLMNAALDH1A1TSHRHTT
SCHEMBL6414562 0.81 MAPK14 (0.40) MAPTLMNAALDH1A1TSHRHTT
SCHEMBL6418627 0.81 RIPK1 (0.47) MAPTALDH1A1NPSR1POLBGFER
SCHEMBL6418625 0.81 RIPK1 (0.47) MAPTALDH1A1NPSR1POLBGFER
SCHEMBL6414120 0.81 BCL2A1 (0.48) MAPTALDH1A1TSHR
SCHEMBL6414125 0.81 BCL2A1 (0.48) MAPTALDH1A1TSHR
SCHEMBL6077514 0.80 ALDH1A1 (0.38) MAPTTP53THRBGAALMNA
SCHEMBL6077512 0.80 ALDH1A1 (0.38) MAPTTP53THRBGAALMNA
SCHEMBL6418491 0.78 MAPT (0.58) MAPTTP53THRBGAALMNA

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-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MAPT 4035/4885TP53 3496/4885THRB 2018/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885TP53 4549/4885THRB 2714/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885TP53 4549/4885THRB 2714/4885

“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.