SCHEMBL9925966

SCHEMBL9925966

O=C1CC(c2cccs2)CC2=C1C(c1ccc(F)cc1)C1=C(CCNC1=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.48
ABCC8 Q09428 5/20 0.48
KCNJ11 Q14654 5/20 0.48
KCNJ8 Q15842 5/20 0.48
KDM4E B2RXH2 8/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 3/20 0.46
AGTR1 P30556 1/20 0.46
HSD17B10 Q99714 6/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.43
GLA P06280 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL9925972 0.77 KDM4E (0.54) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL20988857 0.77 LMNA (0.55) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL9925969 0.71 KDM4E (0.68) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL11998882 0.70 KDM4E (0.60) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL9925965 0.69 KDM4E (0.55) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL20989040 0.68 KDM4E (0.43) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL7852652 0.67 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3320388 0.66 KDM4E (0.75) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL20989041 0.66 ALDH1A1 (0.47) KDM4ELMNAPOLBAGTR1HSD17B10
SCHEMBL20988856 0.65 ALDH1A1 (0.56) KDM4ELMNAPOLBAGTR1HSD17B10

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-20120214824-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-08-23 US disclosed
US-20120214824-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-08-23 US disclosed
WO-2012078902-A2 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-06-14 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 (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-20120214824-A1 PROTEOSTASIS REGULATORS PSMG3, HSPA5, HSP90B1 ABCC9 2104/4885ABCC8 1079/4885KCNJ11 4678/4885

“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.