SCHEMBL3973339

SCHEMBL3973339

CCn1cc(C(=O)OC(=O)C(F)(F)F)c(=O)c2cc(CCCN)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 5/20 0.36
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
ENPP2 Q13822 1/20 0.34
KMT2A Q03164 4/20 0.34
CASP1 P29466 1/20 0.34
MEN1 O00255 3/20 0.34
ABCC4 O15439 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3973337 0.86 LMNA (0.45) ALDH1A1TSHRLMNACYP2C9ATP6V1B2
SCHEMBL3982424 0.82 LMNA (0.48) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL4180700 0.76 S1PR1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4169392 0.76 LMNA (0.39) ALDH1A1TSHRLMNATHRBKMT2A
SCHEMBL4180495 0.75 LMNA (0.39) ALDH1A1TSHRLMNATHRBKMT2A
SCHEMBL3819899 0.74 LMNA (0.45) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL5428194 0.74 TPSAB1 (0.41) ALDH1A1TSHRMAPK1LMNAKMT2A
SCHEMBL3288605 0.74 LMNA (0.35) ALDH1A1TSHRLMNAMAPTTHRB
SCHEMBL4171414 0.72 KMT2A (0.38) ALDH1A1TSHRMAPK1LMNAKMT2A
Trifluoroacetic Acid SCHEMBL3288827 0.72 HRH4 (0.35) TSHRLMNACYP2C9ATP6V1B2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A ALDH1A1 2827/4885TSHR 3662/4885MAPK1 2826/4885

“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.