SCHEMBL6698205

SCHEMBL6698205

Cc1ccc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)s1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MDM2 Q00987 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 1/20 0.34
DAO P14920 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL3807916 0.99 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL6692752 0.86 GABBR2 (0.42) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL6698206 0.85 MDM2 (0.36) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL3815691 0.84 GABBR2 (0.43) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL3809788 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL2484985 0.81 MAPT (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2485648 0.80 MAPT (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3809899 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL3809657 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A
SCHEMBL3807741 0.76 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MDM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797712-B2 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-09-28 US disclosed
US-20040030156-A1 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-02-12 US 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-20040030156-A1 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain AADAT, TRPA1, CACNA1I ALDH1A1 601/4885SMN1; SMN2 992/4885MDM2 4277/4885

“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.