SCHEMBL14856441

SCHEMBL14856441

CC(=O)c1cc(C(=O)O)c(OCc2ccccc2)c(C)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOB P27338 3/20 0.54
PTPN1 P18031 1/20 0.50
PTGER1 P34995 1/20 0.49
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
FOLH1 Q04609 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNA2 P16389 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNA1 Q09470 1/20 0.45

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
SCHEMBL15726040 0.81 PTGER1 (0.57) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8980650 0.80 MAOB (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL7916872 0.80 MAOB (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL7262183 0.79 MAOB (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8041469 0.79 PTPN1 (0.63) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27678664 0.79 PTGER1 (0.51) MAOBPTPN1PTGER1LMNAHPGD
SCHEMBL19326705 0.79 MAOB (0.60) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3047800 0.78 THRA (0.48) SMN1; SMN2PTPN1PTGER1LMNAHPGD
SCHEMBL12379065 0.78 PTGER1 (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL18394152 0.77 LMNA (0.57) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US disclosed
EP-2580193-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS Chroma Therapeutics Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154708-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2011-12-15 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 (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-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P MAPT 52/4885CYP2C9 603/4885CYP2C19 878/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P MAPT 52/4885CYP2C9 603/4885CYP2C19 878/4885

“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.