SCHEMBL6182547

SCHEMBL6182547

Cc1c(Nc2nc(-c3ccncc3)cs2)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ CSNK2A1 P68400 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ROCK1 Q13464 9/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ CCR4 P51679 1/20 0.50
▸ ROCK2 O75116 5/20 0.49
▸ PRKACA P17612 1/20 0.48
▸ VCP P55072 1/20 0.48

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
SCHEMBL31268012 0.90 NPC1 (0.66) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL6252872 0.84 RAB9A (0.64) RAB9AMEN1KMT2AMAPTCSNK2A1
SCHEMBL31268017 0.82 CCR4 (0.56) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL5027668 0.79 HDAC6 (0.50) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL31267977 0.77 CCR4 (0.53) RAB9AMEN1KMT2AMAPTHDAC6
SCHEMBL1887935 0.77 RAB9A (0.76) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL1882944 0.74 ALOX5 (0.75) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL6182830 0.73 CSNK2A1 (0.73) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL12297244 0.73 CCR4 (0.84) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL31268037 0.73 MEN1 (0.62) RAB9AMEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 RAB9A 2240/4885MEN1 3977/4885KMT2A 2983/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 RAB9A 2240/4885MEN1 3977/4885KMT2A 2983/4885

“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.

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