SCHEMBL5949

SCHEMBL5949

CCC(c1ccccc1)c1noc(COc2ccc(C(CCC(N)=O)S(C)(=O)=O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
SMPD1 P17405 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALOX5 P09917 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5861 0.84 FFAR1 (0.56) FFAR1MAPTNPC1RAB9ACASP3
SCHEMBL5950 0.81 FFAR1 (0.43) FFAR1
SCHEMBL11328 0.79 SRC (0.41) FFAR1SMPD1MAPTSMN1; SMN2CYP2C9
SCHEMBL11944 0.77 MAPT (0.53) FFAR1MAPTNPC1RAB9ACASP3
SCHEMBL5948 0.76 FFAR1 (0.45) FFAR1
SCHEMBL11899995 0.75 PARP10 (0.48) MAPTNPC1RAB9AALOX5SMN1; SMN2
SCHEMBL10690 0.72 CYSLTR1 (0.54) FFAR1ALOX5
SCHEMBL6074 0.71 CA12 (0.46) L3MBTL1
SCHEMBL5798 0.71 CYP27B1 (0.46) ALOX5
SCHEMBL11898794 0.70 ADAMTS4 (0.47) RAB9AALOX5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT FFAR1 1313/4885SMPD1 1403/4885MAPT 4745/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A FFAR1 2319/4885SMPD1 1940/4885MAPT 4708/4885

“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.