SCHEMBL10166552

SCHEMBL10166552

CC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)n2nc(-c3ccccc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
MMP13 P45452 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MET P08581 1/20 0.42
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
PTGER4 P35408 1/20 0.41
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
S1PR3 Q99500 1/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL10165309 0.92 PHGDH (0.48) PHGDHALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL10165300 0.91 PHGDH (0.46) PHGDHALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL10165315 0.88 MMP13 (0.47) PHGDHALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL10166558 0.86 MYC (0.47) ALDH1A1CACNA1GCACNA1HCACNA1IHSD17B10
SCHEMBL10165311 0.80 MYC (0.46) ALDH1A1CACNA1GCACNA1HCACNA1IMMP13
SCHEMBL10166269 0.79 MYC (0.49) ALDH1A1CACNA1GCACNA1HCACNA1IMMP13
SCHEMBL10166579 0.79 MYC (0.49) ALDH1A1CACNA1GCACNA1HCACNA1IMMP13
SCHEMBL10165301 0.78 MYC (0.50) ALDH1A1CACNA1GCACNA1HCACNA1IHSD17B10
SCHEMBL10167297 0.78 MMP13 (0.60) PHGDHMMP13METKDM4EPPARG
SCHEMBL10167300 0.76 MMP13 (0.63) PHGDHCACNA1GCACNA1HCACNA1IMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PHGDH 2467/4885ALDH1A1 1806/4885CACNA1G 2170/4885

“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.