SCHEMBL1661511

SCHEMBL1661511

O=C(O)NCc1cc[c]c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SRC P12931 1/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
ERCC1 P07992 2/20 0.36
ERCC4 Q92889 2/20 0.36
HTT P42858 2/20 0.36
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL22344571 0.77 AKR1B1 (0.48) TSHRALDH1A1LMNAKMT2AHTT
SCHEMBL1661848 0.75 LTA4H (0.36)
SCHEMBL1418836 0.74 KEAP1 (0.47)
SCHEMBL3569391 0.73 P2RX7 (0.49) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1661397 0.72 KDM4E (0.54) ALDH1A1LMNASMN1; SMN2
SCHEMBL29699631 0.71 SRC (0.61) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3109722 0.71 SRC (0.61) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27848147 0.71 POLB (0.40) CYP2C19LMNAHTTPOLB
SCHEMBL8059189 0.71 CYP1A2 (0.68) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL147803 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 TSHR 349/4885CYP1A2 1690/4885CYP2D6 3405/4885

“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.