SCHEMBL3028341

SCHEMBL3028341

O=Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NR4A2 P43354 2/20 0.47
MLYCD O95822 1/20 0.47
MAOB P27338 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ACP3 P15309 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.44
NLRP3 Q96P20 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CES2 O00748 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PLA2G1B P04054 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
SCHEMBL423797 0.84 MEN1 (0.62) MEN1KMT2AMAPTNR4A2ACP3
SCHEMBL6970291 0.82 CES2 (0.61) MEN1KMT2AMAPTNR4A2MLYCD
SCHEMBL4024081 0.80 MEN1 (0.51) MEN1KMT2AMAPTNR4A2MLYCD
SCHEMBL7036180 0.80 MAOB (0.57) MEN1KMT2AMAPTNR4A2MAOB
SCHEMBL17508140 0.79 LTA4H (0.50) MAPTMAOBHDAC1HDAC8ACP3
SCHEMBL3038139 0.77 MAPT (0.62) MEN1KMT2AMAPTHDAC8CES2
SCHEMBL13259659 0.76 S1PR5 (0.55) MEN1KMT2AGAAALDH1A1
SCHEMBL935958 0.76 MEN1 (0.56) MEN1KMT2AMAPTNR4A2HDAC1
SCHEMBL3043506 0.76 MEN1 (0.47) MEN1KMT2AMAPTNR4A2MLYCD
SCHEMBL6865758 0.75 MEN1 (0.62) MEN1KMT2AMAPTNR4A2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 MEN1 1608/4885KMT2A 1154/4885MAPT 3005/4885

“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.