SCHEMBL464256

SCHEMBL464256

CCCC(N)C(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ IL1RN P18510 2/20 0.48
▸ ERAP2 Q6P179 2/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ ITGA4 P13612 1/20 0.47
▸ ITGB7 P26010 1/20 0.47
▸ BIRC2 Q13490 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47

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
SCHEMBL13427297 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30291613 0.83 MMP1 (0.53) MMP1MMP3MMP9MAPTTDP1
SCHEMBL20466157 0.82 POLB (0.54) MAPTTDP1POLBIL1RNERAP2
SCHEMBL1437012 0.82 MMP1 (0.57) MMP1MMP3MMP9MAPTTDP1
SCHEMBL27041650 0.82 CTSK (0.60) MMP1MMP3MMP9MAPTTDP1
SCHEMBL1486271 0.82 IL1RN (0.61) POLBIL1RNERAP2ERAP1BIRC2
SCHEMBL27041646 0.82 CTSK (0.60) MMP1MMP3MMP9MAPTTDP1
SCHEMBL13101947 0.82 GPR88 (0.47) CTSSCTSKMETAP2
Hydrochloric Acid SCHEMBL5966853 0.81 MMP1 (0.56) MMP1MMP3MMP9MAPTTDP1
Hydrochloric Acid SCHEMBL27530934 0.81 MMP1 (0.56) MMP1MMP3MMP9MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 — — US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 — — US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 — — US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 — — US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 — — US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 — — 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 (4 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD MMP1 524/4885MMP3 438/4885MMP9 613/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MMP1 524/4885MMP3 438/4885MMP9 613/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MMP1 524/4885MMP3 438/4885MMP9 613/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP MMP1 276/4885MMP3 190/4885MMP9 266/4885

“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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