SCHEMBL10136037

SCHEMBL10136037

O=C(Nc1n[nH]c(=S)s1)NC(Cc1ccccc1)C(=O)NCC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 1.00
MMP1 P03956 14/20 0.73
MMP2 P08253 1/20 0.68

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
SCHEMBL5443538 1.00 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6956789 0.85 MMP3 (0.75) MMP3MMP1MMP2
SCHEMBL6951416 0.85 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6952470 0.84 MMP3 (0.72) MMP3MMP1MMP2
SCHEMBL6954437 0.83 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL6954614 0.83 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL7341330 0.82 MMP3 (0.80) MMP3MMP1MMP2
SCHEMBL6953380 0.81 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6954588 0.81 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6956280 0.81 MMP3 (0.78) MMP3MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745567-B2 Compositions and methods for treating multiple sclerosis REVALESIO CORPORATION (US) 2017-08-29 US disclosed
US-9523090-B2 Compositions and methods for treating inflammation REVALESIO CORPORATION (US) 2016-12-20 US disclosed
US-9523090-B2 Compositions and methods for treating inflammation REVALESIO CORPORATION (US) 2016-12-20 US disclosed
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION 2012-05-10 US disclosed
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS REVALESIO CORPORATION (US) 2010-04-22 US disclosed
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS REVALESIO CORPORATION (US) 2010-04-22 US disclosed
US-20100028443-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATION REVALESIO CORPORATION (US) 2010-02-04 US disclosed
US-20100028443-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATION REVALESIO CORPORATION (US) 2010-02-04 US disclosed
US-20100028441-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-02-04 US disclosed
US-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-01-21 US disclosed
US-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-01-21 US disclosed
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION (US) 2010-01-14 US disclosed
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION (US) 2010-01-14 US disclosed
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS REVALESIO CORPORATION (US) 2010-01-07 US disclosed
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS REVALESIO CORPORATION (US) 2010-01-07 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 (7 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-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS GJA1, GJB2, GPR180 MMP3 3758/4885MMP1 1996/4885MMP2 3607/4885
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS CHRM3, CHRNG, GRK3 MMP3 3032/4885MMP1 1698/4885MMP2 2528/4885
US-20100028443-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATION EPCAM, GPR180, GJA1 MMP3 2700/4885MMP1 1268/4885MMP2 2975/4885
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS CFTR, GJB2, KRAS MMP3 3582/4885MMP1 748/4885MMP2 2983/4885
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS MMP9, MMP14, MMP10 MMP3 6/4885MMP1 12/4885MMP2 11/4885
US-20100028441-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS GJA1, GPR180, AQP4 MMP3 3789/4885MMP1 1096/4885MMP2 3526/4885
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS RGS17, RGS16, CHRM3 MMP3 2197/4885MMP1 1856/4885MMP2 2273/4885

“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.