SCHEMBL6697316

SCHEMBL6697316

COc1ccc(C2c3cc(I)ccc3NC(C(=O)O)C2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 4/20 0.47
PTPN7 P35236 4/20 0.47
EDNRA P25101 5/20 0.43
EDNRB P24530 4/20 0.43
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
ALDH1A1 P00352 5/20 0.37
GRK6 P43250 1/20 0.36
POLB P06746 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
GAPDH P04406 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL6216903 0.84 EDNRA (0.47) HSPA1APTPN7EDNRAEDNRBMCL1
SCHEMBL6640242 0.73 ALDH1A1 (0.51) HSPA1APTPN7EDNRAEDNRBALDH1A1
SCHEMBL6217804 0.72 HSPA1A (0.43) HSPA1APTPN7EDNRAEDNRBMCL1
SCHEMBL27911000 0.68 PTPN7 (0.60) HSPA1APTPN7EDNRAEDNRBMCL1
SCHEMBL23297838 0.63 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1POLBMAPT
SCHEMBL23342993 0.63 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1POLBMAPT
SCHEMBL29542982 0.63 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1POLBMAPT
SCHEMBL23297818 0.63 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1POLBMAPT
SCHEMBL29542709 0.63 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1POLBMAPT
Acetic Acid SCHEMBL30426275 0.62 CA1 (0.56) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds GRUENENTHAL GMBH (DE) 2004-11-11 US disclosed
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 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 (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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C HSPA1A 3371/4885PTPN7 3463/4885EDNRA 1506/4885
US-20040224969-A1 Salts of substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid compounds OPRK1, SDHA, GRIN2C HSPA1A 2266/4885PTPN7 4107/4885EDNRA 1417/4885

“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.