SCHEMBL5527630

SCHEMBL5527630

O=C(O)c1cc2c(CNC3(CO)CCCC3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.36
DDR2 Q16832 5/20 0.36
FSCN1 Q16658 1/20 0.35
P2RX7 Q99572 1/20 0.34
PPARG P37231 2/20 0.34
ALKBH1 Q13686 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.33
PTGER1 P34995 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AKT2 P31751 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5252376 0.92 FSCN1 (0.36) DDR1DDR2FSCN1P2RX7PPARG
SCHEMBL5258224 0.91 DDR1 (0.36) DDR1DDR2FSCN1P2RX7PPARG
SCHEMBL5253943 0.89 FSCN1 (0.36) DDR1DDR2FSCN1P2RX7NTRK1
SCHEMBL5257090 0.89 MET (0.38) DDR1DDR2FSCN1P2RX7PPARG
SCHEMBL2946795 0.82 ALKBH1 (0.41) FSCN1PPARGALKBH1NTRK1PTGER1
SCHEMBL2945342 0.77 PTGER1 (0.42) FSCN1PPARGALKBH1PTGER1PTGDR2
SCHEMBL2945388 0.77 PTGER1 (0.39) FSCN1PPARGALKBH1PTGER1PTGDR2
SCHEMBL5332711 0.76 P2RX7 (0.35) DDR1DDR2FSCN1P2RX7CNR1
SCHEMBL4806357 0.76 HTR6 (0.45) FSCN1
SCHEMBL4805917 0.75 PTGER1 (0.40) FSCN1PPARGALKBH1PTGER1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 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-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 DDR1 4761/4885DDR2 4772/4885FSCN1 4821/4885

“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.