SCHEMBL5828993

SCHEMBL5828993

O=C(O)C(Cc1ccccc1)N1C[C@@H]1SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.85 GAA (0.42) HSD17B10ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL8554773 0.81 ALDH1A1 (0.54) HSD17B10ALDH1A1PKMNPSR1LMNA
SCHEMBL5828966 0.78 HSD17B10 (0.48) HSD17B10ALDH1A1PKMNPSR1LMNA
SCHEMBL8695133 0.77 KMT2A (0.57) HSD17B10ALDH1A1PKMNPSR1LMNA
SCHEMBL5828523 0.76 ACE (0.42) ALDH1A1L3MBTL1POLBCYP2C9ACE
SCHEMBL5166125 0.73 PPARG (0.41) ALDH1A1KMT2AL3MBTL1POLBCYP2C9
SCHEMBL8552221 0.72 MDM2 (0.44) HSD17B10ALDH1A1PKMMAPTKMT2A
SCHEMBL5167607 0.71 GAA (0.44) ALDH1A1L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL8551199 0.71 ALDH1A1 (0.43) HSD17B10ALDH1A1PKMNPSR1MAPT
SCHEMBL8552104 0.71 ALDH1A1 (0.42) HSD17B10ALDH1A1PKMNPSR1LMNA

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-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

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 HSD17B10 4629/4885ALDH1A1 4862/4885PKM 1199/4885

“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.