SCHEMBL2884928

SCHEMBL2884928

CCOc1cc(C(=O)O)c(C(=O)O)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
HSD17B10 Q99714 3/20 0.59
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CREBBP Q92793 1/20 0.51
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.44

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
SCHEMBL11777279 0.91 TSHR (0.62) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL3540950 0.86 TSHR (0.53) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL15048783 0.86 HSD17B10 (0.49) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL11232189 0.85 TSHR (0.59) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL10801182 0.85 TSHR (0.64) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL1788804 0.85 HSD17B10 (0.47) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL2828736 0.82 TSHR (0.75) TSHRHSD17B10SMN1; SMN2CYP3A4KDM4E
SCHEMBL18677626 0.81 TSHR (0.54) TSHRHSD17B10NPC1USP2RAB9A
SCHEMBL2902421 0.79 ALDH1A1 (0.56) CYP3A4TDP1KDM4EALDH1A1POLB
SCHEMBL13657517 0.77 PTPN11 (0.49) TSHRHSD17B10ALDH1A1HPGDTP53

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 TSHR 4692/4885HSD17B10 272/4885NPC1 1177/4885

“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.