SCHEMBL4920271

SCHEMBL4920271

COC(=O)c1ccc2c(c1)C(=O)c1c(CO)cccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
PTPRC P08575 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
TTR P02766 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ATM Q13315 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P4HB P07237 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL4918870 0.88 MAPT (0.45) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL4922840 0.88 PTPRC (0.43) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL4920472 0.86 RXRA (0.43) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL27642811 0.86 PTPRC (0.41) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL4915494 0.85 MAPT (0.48) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL9685937 0.82 MAPT (0.46) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL4919949 0.82 FGFR1 (0.51) PTGS2PTPRCSMN1; SMN2MAPTCASP3
SCHEMBL4921071 0.78 TTR (0.61) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL11846453 0.78 PTPRC (0.60) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL4920931 0.77 HTR2B (0.65)

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-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP disclosed
CN-1842517-A Fluorene derivatives ASTELLAS PHARMA INC (JP) 2006-10-04 CN 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A PTGS2 181/4885PTPRC 2235/4885NPC1 3319/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C PTGS2 644/4885PTPRC 2610/4885NPC1 2651/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B PTGS2 353/4885PTPRC 1236/4885NPC1 3716/4885

“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.