SCHEMBL13964456

SCHEMBL13964456

C=[N+]([O-])c1ccc(C(C)C(N)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PRCP P42785 4/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GRM8 O00222 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ DPP4 P27487 2/20 0.34
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL22303821 0.85 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL22303091 0.85 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL1913843 0.85 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL22339025 0.85 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL16868767 0.84 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL31000596 0.75 ESR1 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL28399990 0.75 ESR1 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL1868711 0.75 ESR1 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL31000618 0.75 ESR1 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL772054 0.75 ESR1 (0.46) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 — — US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 — — US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 — — US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 — — 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 (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-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SLC1A3 231/4885SLC1A2 53/4885SLC1A1 211/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 SLC1A3 954/4885SLC1A2 299/4885SLC1A1 828/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SLC1A3 231/4885SLC1A2 53/4885SLC1A1 211/4885

“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.

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