SCHEMBL1338758

SCHEMBL1338758

Cc1cccc(C2=NC(C(=O)O)C(C)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
PIN1 Q13526 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
DHODH Q02127 1/20 0.37
EPHX1 P07099 1/20 0.36
MAPT P10636 2/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
THRB P10828 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL11128460 0.85 DRD2 (0.43) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL4354314 0.85 DRD2 (0.43) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL12130903 0.83 JAK2 (0.37) TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL15165058 0.75 NPC1 (0.43) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL14116701 0.74 MMP9 (0.44) HPGDTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL6751629 0.71 CYP2D6 (0.41) HPGDALDH1A1KDM4E
SCHEMBL1338859 0.70 TSHR (0.44) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL31470944 0.68 NPC1 (0.44) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL31470950 0.68 NPC1 (0.44) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL17402217 0.68 KDM4E (0.43) NPC1HPGDRAB9ADHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO KMO 107/4885PIN1 4447/4885NPC1 4531/4885

“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.