SCHEMBL5828290

SCHEMBL5828290

COC(=O)C(Cc1ccccc1)N1C[C@H]1CSCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RECQL P46063 2/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
AGTR2 P50052 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
SCHEMBL5828617 0.88 L3MBTL1 (0.38) L3MBTL1MAPTNPC1RAB9AAGTR2
SCHEMBL5828966 0.86 HSD17B10 (0.48) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL5167210 0.84 PPARG (0.39) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL5170081 0.81 GAA (0.42) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL5167607 0.74 GAA (0.44) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL5169425 0.73 MAPT (0.44) GAACYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL11093075 0.72 NPC1 (0.48) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL8552490 0.71 ALDH1A1 (0.42) GAACYP2C9CYP2C19RECQLPOLB
SCHEMBL17294909 0.70 GAA (0.44) GAACYP2C9CYP2C19L3MBTL1RECQL
SCHEMBL17304924 0.70 GAA (0.44) GAACYP2C9CYP2C19L3MBTL1RECQL

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
US-7084244-B2 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2006-08-01 US disclosed
US-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2003-07-31 US disclosed
US-6407059-B1 SOMATOSTATIN-TYPE DRUG PEPTOR LIMITED (IL) 2002-06-18 US disclosed
US-6265375-B1 Conformationally constrained backbone cyclized peptide analogs YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 2001-07-24 US disclosed
US-5883293-A SOMATOSTATIN CONPOUNDS PEPTOR LTD. (IL) 1999-03-16 US disclosed
US-5874529-A BRADYKININ ANTAGONIST PEPTOR LTD. (IL) 1999-02-23 US disclosed
US-5811392-A BRADYKININ ANTAGONISTS; SOMATOSTATIN ANALOGS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 1998-09-22 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 (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-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs VIP, BDKRB1, BDKRB2 GAA 3749/4885CYP2C9 4476/4885CYP2C19 3991/4885

“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.