SCHEMBL4726316

SCHEMBL4726316

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CO)n3)cc2)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.36
ADRB3 P13945 2/20 0.34
ALDH1A1 P00352 6/20 0.33
RAB9A P51151 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
S1PR1 P21453 2/20 0.33
MEN1 O00255 7/20 0.33
KMT2A Q03164 6/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
OPRK1 P41145 1/20 0.32
EGFR P00533 1/20 0.32
GAA P10253 2/20 0.32
CD74 P04233 1/20 0.32

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
SCHEMBL4729099 0.92 PTPN1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4726976 0.89 PTPN1 (0.36) PTPN1PTPN2ADRB3ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5999810 0.88 PTPN1 (0.36) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL14261198 0.87 ALDH1A1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4729235 0.85 PTPN1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4725515 0.83 L3MBTL1 (0.55) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4781493 0.83 PTPN1 (0.38) PTPN1PTPN2ALDH1A1RAB9AL3MBTL1
SCHEMBL27650566 0.82 ADRB3 (0.35) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL6000635 0.82 PTPN1 (0.49) PTPN1PTPN2L3MBTL1MEN1KMT2A
SCHEMBL6000424 0.82 PTPN1 (0.41) PTPN1PTPN2ADRB3ALDH1A1RAB9A

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
WO-2008033932-A2 BIARYLTHIAZOLE CARBOXYLIC ACID DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASE-IB INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
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 11/4885ADRB3 483/4885

“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.