SCHEMBL22987101

SCHEMBL22987101

COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AGER Q15109 1/20 0.42
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL25244819 0.89 HTT (0.64) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6250449 0.86 SMN1; SMN2 (0.43) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL22987099 0.86 HTT (0.41) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15818528 0.84 KDM4E (0.49) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL28190043 0.82 CA12 (0.40) RAB9AHTTHSD17B10MEN1KMT2A
SCHEMBL31321274 0.82 HTT (0.55) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3035651 0.82 ALDH1A1 (0.42) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL133355 0.81 AGER (0.58) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31744674 0.80 ALDH1A1 (0.59) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4215084 0.80 SMN1; SMN2 (0.43) HPGDALDH1A1KDM4EMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 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-10925848-B2 Amide derivative IDO1, IDO2, TPH1 HPGD 550/4885ALDH1A1 750/4885KDM4E 2941/4885

“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.