SCHEMBL5167607

SCHEMBL5167607

COC(=O)C(Cc1ccccc1)N1CCC[C@@H]1SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ACE P12821 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5170081 0.86 GAA (0.42) GAAATML3MBTL1RECQLACE
SCHEMBL8552490 0.79 ALDH1A1 (0.42) GAARECQLACECYP3A4CYP2D6
SCHEMBL5828290 0.74 GAA (0.41) GAAATML3MBTL1RECQLCYP3A4
SCHEMBL5828523 0.74 ACE (0.42) L3MBTL1ACECYP2C9POLBALDH1A1
SCHEMBL1683002 0.72 RAB9A (0.58) GAAATML3MBTL1HPGDTSHR
SCHEMBL8557349 0.72 L3MBTL1 (0.40) L3MBTL1ACECYP2C9POLBNPC1
SCHEMBL5828993 0.71 HSD17B10 (0.49) GAAL3MBTL1RECQLACECYP2C9
SCHEMBL8550015 0.70 ACE (0.38) GAAACECYP2C9POLBALDH1A1
SCHEMBL2333102 0.70 GAA (0.49) GAAATML3MBTL1HPGDTSHR
SCHEMBL11093075 0.70 NPC1 (0.48) GAAATML3MBTL1RECQLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804468-B1 METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE DEVELOGEN ISRAEL LTD (IL) 2007-04-25 EP disclosed
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 3749/4885ATM 3612/4885L3MBTL1 2124/4885

“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.