SCHEMBL5111209

SCHEMBL5111209

COC(=O)[C@H](Cc1cc(Cl)c(OCCCNC(=O)c2ccccc2)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
HPGD P15428 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
MCL1 Q07820 1/20 0.39
MLYCD O95822 1/20 0.39

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
SCHEMBL5110429 0.83 TDP1 (0.41) TSHRPOLBMEN1KMT2APAX8
Hydrochloric Acid SCHEMBL5117084 0.82 PRSS1 (0.41) TSHRALDH1A1LMNARAB9AMEN1
SCHEMBL5117059 0.79 NLRP3 (0.43) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL5124896 0.77 NPC1 (0.46) RAB9AMEN1KMT2AHPGDPAX8
SCHEMBL5125017 0.75 NOS2 (0.42) ALDH1A1ATMNOS2NOS3NOS1
SCHEMBL13900785 0.75 ATM (0.62) TSHRALDH1A1LMNAGLAGAA
SCHEMBL5693509 0.75 ATM (0.62) TSHRALDH1A1LMNAGLAGAA
SCHEMBL5114948 0.74 POLB (0.42) ALDH1A1LMNAGAARAB9APOLB
SCHEMBL7979206 0.74 RAB9A (0.55) ALDH1A1LMNAGAARAB9APOLB
SCHEMBL5109465 0.74 ACACB (0.40) TSHRALDH1A1LMNARAB9APOLB

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-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 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 (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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 TSHR 2412/4885ALDH1A1 869/4885LMNA 3373/4885

“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.