SCHEMBL6001105

SCHEMBL6001105

CCC(CC)c1ccc(N(Cc2ccc(-c3ccc(CN(CC(=O)O)Cc4nc(C(C)(C)C)cs4)s3)cc2)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
MMP1 P03956 2/20 0.32
MMP13 P45452 2/20 0.32
RORC P51449 6/20 0.32
RORA P35398 2/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
RORB Q92753 2/20 0.31
S1PR1 P21453 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
GCGR P47871 1/20 0.30
GIPR P48546 1/20 0.30

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
SCHEMBL5999984 0.94 PTPN1 (0.50) PTPN1PTPN2MMP1MMP13RORC
SCHEMBL5999198 0.90 PTPN1 (0.42) PTPN1PTPN2MMP1MMP13S1PR1
SCHEMBL6000861 0.89 PTPN1 (0.52) PTPN1PTPN2MMP1MMP13S1PR1
SCHEMBL6000921 0.80 PTPN2 (0.68) PTPN1PTPN2MMP1MMP13MMP2
SCHEMBL6000635 0.79 PTPN1 (0.49) PTPN1PTPN2MMP1MMP13MMP2
SCHEMBL6000684 0.79 TDP1 (0.41) PTPN1MMP1RORCRORANR1H2
SCHEMBL6000561 0.79 PTPN1 (0.36) PTPN1PTPN2RORCRORANR1H2
SCHEMBL5999157 0.78 PTPN1 (0.52) PTPN1PTPN2S1PR1
SCHEMBL5999379 0.76 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6000680 0.75 PTPN1 (0.44) PTPN1PTPN2MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN1 2/4885PTPN2 11/4885MMP1 3740/4885

“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.