SCHEMBL754616

SCHEMBL754616

COC(=O)/C(O)=C(/c1ccc(F)cc1)c1ccc(C(=O)C2=C(O)C(=O)NCC2)o1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL754617 1.00 RAB9A (0.34) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL2486924 0.89 RAB9A (0.38) RAB9ALMNAMAPTALDH1A1RXFP1
SCHEMBL2486923 0.89 RAB9A (0.38) RAB9ALMNAMAPTALDH1A1RXFP1
SCHEMBL17922045 0.80 RAB9A (0.36) RAB9A
SCHEMBL756872 0.73 POLB (0.37) RAB9ALMNAMAPTALDH1A1TSHR
SCHEMBL2958453 0.61 LMNA (0.64) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL8496249 0.61 ALDH1A1 (0.43) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL21222589 0.60 CES2 (0.58) RAB9ALMNAMAPTNPC1ALDH1A1
SCHEMBL755130 0.59 ALDH1A1 (0.34) RAB9ALMNAALDH1A1TSHR
SCHEMBL836180 0.58 CES2 (0.62) RAB9ALMNAMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 (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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885LMNA 2945/4885MAPT 4426/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885LMNA 2945/4885MAPT 4426/4885

“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.