SCHEMBL6206918

SCHEMBL6206918

CCC(NC(=O)C(N)C1CCCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.40
METAP1 P53582 2/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
FAAH O00519 1/20 0.37
CTSS P25774 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GALK1 P51570 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX5 P09917 1/20 0.35

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
Hydrochloric Acid SCHEMBL5946008 0.87 CTSS (0.42) METAP2METAP1RAB9ANPC1CTSS
SCHEMBL5516628 0.83 TSHR (0.39) LMNASMN1; SMN2TSHRRAB9ANPC1
SCHEMBL6415401 0.82 REN (0.42) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6206684 0.82 NPC1 (0.42) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL5475660 0.82 TSHR (0.35) SMN1; SMN2TSHRRAB9ANPC1GALK1
SCHEMBL5475666 0.82 TSHR (0.35) SMN1; SMN2TSHRRAB9ANPC1GALK1
SCHEMBL6206683 0.81 FAAH (0.44) LMNASMN1; SMN2TSHRHTTMAPT
Hydrochloric Acid SCHEMBL5946048 0.81 HDAC3 (0.40) LMNASMN1; SMN2TSHRRAB9ANPC1
SCHEMBL5945973 0.81 CTSS (0.34) TSHRRAB9ANPC1CTSS
SCHEMBL14974258 0.79 PTPN2 (0.41) LMNASMN1; SMN2TSHRMAPTRAB9A

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-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB METAP2 133/4885METAP1 74/4885LMNA 2275/4885

“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.