SCHEMBL2884525

SCHEMBL2884525

COc1c(N)cc(C(=O)O)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PTGS2 P35354 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41

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
SCHEMBL5924145 0.88 TPMT (0.53) TPMTPKMCA12CA1CA2
SCHEMBL4322338 0.86 TPMT (0.55) TPMTHSD17B10PKMCA12CA1
SCHEMBL28496437 0.81 TPMT (0.66) TPMTPKMCA12CA1CA2
SCHEMBL18669219 0.81 TPMT (0.66) TPMTHSD17B10PKMCA12CA1
SCHEMBL19897381 0.80 HSD17B10 (0.69) TPMTHSD17B10PKMALDH1A1KDM4E
SCHEMBL29198878 0.80 TPMT (0.67) TPMTHSD17B10PKMCA12CA1
SCHEMBL3745196 0.80 CYP3A4 (0.59) TPMTHSD17B10CA1CA2ALDH1A1
SCHEMBL1613893 0.79 TPMT (0.68) TPMTHSD17B10PKMCA12CA1
SCHEMBL27801015 0.79 TPMT (0.49) TPMTHSD17B10PKMCA12CA1
SCHEMBL1600588 0.77 HSD17B10 (0.44) HSD17B10PKMALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 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 (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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 TPMT 4004/4885HSD17B10 272/4885PKM 3123/4885

“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.