SCHEMBL5508668

SCHEMBL5508668

C[CH]OC(=O)OCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARB P10826 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CA1 P00915 2/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM1A O60341 1/20 0.30
ACHE P22303 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
SCHEMBL697642 0.88 CA1 (0.41) TDP1PKMMAPK1HSD17B10CA1
SCHEMBL9069149 0.83 BLM (0.40) PTPN1TDP1BLMPKMMAPK1
SCHEMBL31633803 0.79 BLM (0.38) PTPN1TDP1BLMPKMMAPK1
SCHEMBL5511600 0.79 PKM (0.38) PTPN1TDP1BLMPKMMAPK1
SCHEMBL26923746 0.78 ATM (0.34) ATMTSHRACHE
SCHEMBL444270 0.78 ATM (0.54) TDP1ATMMAPK1TSHRACHE
SCHEMBL2347061 0.77 RARB (0.42) PTPN1TDP1BLMPKMMAPK1
SCHEMBL9825381 0.76 TRPV1 (0.37) HRH3
SCHEMBL5508672 0.76 ALDH1A1 (0.54) PTPN1TDP1BLMATMMAPK1
SCHEMBL5511599 0.76 TDP1 (0.36) PTPN1TDP1BLMPKMMAPK1

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-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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 (2 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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 PTPN1 1557/4885TDP1 4351/4885BLM 2245/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 PTPN1 1417/4885TDP1 3544/4885BLM 3992/4885

“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.