SCHEMBL16299342

SCHEMBL16299342

CCCCOc1c(Br)c(COS(C)(=O)=O)c(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.34
KAT6A Q92794 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6128441 0.86 FAAH (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL16299348 0.85 FAAH (0.36) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL6128438 0.81 FAAH (0.37) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9289915 0.81 LMNA (0.39) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9290217 0.80 TSHR (0.38) LMNACYP1A2KMT2ATSHRCYP2C9
SCHEMBL18525123 0.80 FAAH (0.36) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9290150 0.80 FAAH (0.36) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL9286288 0.80 POLB (0.37) FAAHKMT2ATSHRKDM4EPOLB
SCHEMBL17695333 0.79 LMNA (0.38) FAAHLMNACYP1A2CYP2C19KMT2A
SCHEMBL18602758 0.79 FAAH (0.39) FAAHLMNACYP1A2CYP2C19KMT2A

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
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A FAAH 4449/4885KAT6A 643/4885LMNA 3089/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A FAAH 4449/4885KAT6A 643/4885LMNA 3089/4885

“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.