SCHEMBL10062425

SCHEMBL10062425

NC(C(=O)O)(C(=O)O)C1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ANPEP P15144 4/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
AKR1C3 P42330 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 2/20 0.38
GHSR Q92847 1/20 0.37
GRIN2B Q13224 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL1411355 0.72 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL14815575 0.72 ANPEP (0.49) PLAUMTNR1AMTNR1BANPEPGRIN2B
SCHEMBL10062424 0.71 TSHR (0.43) MTNR1AMTNR1BCA1CA2CYP1A2
SCHEMBL19393068 0.71 PLAU (0.50) PLAUMTNR1AMTNR1BANPEPCA1
SCHEMBL5028027 0.71 PLAU (0.50) PLAUMTNR1AMTNR1BANPEPCA1
Oxalic Acid SCHEMBL7860177 0.70 PLAU (0.78) PLAUMTNR1AMTNR1BANPEP
SCHEMBL9567951 0.70 MTNR1A (0.42) PLAUMTNR1AMTNR1BANPEPCA1
SCHEMBL9568069 0.70 MTNR1A (0.44) PLAUMTNR1AMTNR1BANPEPCA1
SCHEMBL16595708 0.69 PNMT (0.39) MTNR1AMTNR1BKEAP1NFE2L2
SCHEMBL367535 0.69 FAAH (0.53) PLAUMTNR1AMTNR1BANPEPAKR1C3

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-8173710-B2 Bicyclic sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-08 US disclosed
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-11 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-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 PLAU 3997/4885MTNR1A 1520/4885MTNR1B 1235/4885

“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.