SCHEMBL4269233

SCHEMBL4269233

CC(C)NC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.60
NR1H4 Q96RI1 3/20 0.52
ALDH1A1 P00352 1/20 0.50
HPSE Q9Y251 1/20 0.50
IGF2BP2 Q9Y6M1 1/20 0.48
GALK1 P51570 1/20 0.48
CASP6 P55212 1/20 0.48
MCL1 Q07820 1/20 0.48
PLEC Q15149 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL13748324 0.94 SERPINE1 (0.57) SERPINE1NR1H4ALDH1A1HDAC1HDAC8
SCHEMBL4281119 0.93 SERPINE1 (0.57) SERPINE1NR1H4ALDH1A1HPSEHDAC1
SCHEMBL4271457 0.91 SERPINE1 (0.55) SERPINE1NR1H4ALDH1A1HPSEIGF2BP2
SCHEMBL4276696 0.91 NR1H4 (0.53) SERPINE1NR1H4ALDH1A1MEN1KMT2A
SCHEMBL4284613 0.91 SERPINE1 (0.55) SERPINE1NR1H4ALDH1A1HPSEIGF2BP2
SCHEMBL4276293 0.86 HPGD (0.55) SERPINE1NR1H4ALDH1A1HPSEHDAC1
SCHEMBL4273626 0.85 SERPINE1 (0.49) SERPINE1NR1H4ALDH1A1TDP1HDAC1
SCHEMBL4284605 0.85 SERPINE1 (0.54) SERPINE1ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL4278030 0.84 STK39 (0.57) SERPINE1ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL4268642 0.84 SERPINE1 (0.58) SERPINE1ALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRISTOL-MYERS SQUIBB COMPANY 2006-06-22 US claimed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRISTOL-MYERS SQUIBB COMPANY 2006-06-22 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-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents NASP, BRDT, ACR SERPINE1 492/4885NR1H4 1232/4885ALDH1A1 506/4885

“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.