SCHEMBL20349700

SCHEMBL20349700

N[C@@H](CC=O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 4/20 0.49
▸ SLC1A3 P43003 3/20 0.49
▸ SLC1A2 P43004 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SLC15A1 P46059 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ LAP3 P28838 1/20 0.46

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
SCHEMBL27426825 1.00 SLC1A1 (0.49) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL27543988 0.88 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL27533978 0.85 ALDH1A1 (0.47) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL8257115 0.85 ALDH1A1 (0.47) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL12873771 0.84 KMT2A (0.49) SLC1A1SLC1A3SLC1A2KMT2AMEN1
Hydrochloric Acid SCHEMBL2528757 0.84 IDO1 (0.46) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL14517178 0.84 KMT2A (0.49) SLC1A1SLC1A3SLC1A2KMT2AMEN1
Hydrochloric Acid SCHEMBL27697735 0.84 IDO1 (0.46) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL24535009 0.83 ALDH1A1 (0.52) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL6649720 0.81 LMNA (0.55) KMT2AALDH1A1IDO1HCAR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058840-A 2-Asn-tetrahydroisoquinoline-3S-formyl-Ala, and preparation and application thereof 首都医科大学 2025-05-30 — — CN disclosed
CN-120058839-A 2-Asn-tetrahydroisoquinoline-3S-formyl-Leu, and preparation and application thereof 首都医科大学 2025-05-30 — — CN disclosed
CN-117510578-B TNF-alpha inhibitor 2-Asn-tetrahydroisoquinoline-3S-formyl-AA, preparation and application 首都医科大学 2025-03-28 — — CN disclosed
CN-117567552-B Four 2-Thr-tetrahydroisoquinoline-3S-formyl-AA compounds of IL-2 agonist, preparation and application 首都医科大学 2025-03-28 — — CN disclosed
CN-117567553-B 2-Thr-dihydroisoquinoline-3S-formyl-AA as IL-2 agonist, and preparation and antitumor application thereof 首都医科大学 2025-03-28 — — CN disclosed
CN-117510575-B 2-Gly-tetrahydroisoquinoline-3S-formyl-AA compound of IL-10 agonist, and preparation and application thereof 首都医科大学 2025-03-28 — — CN disclosed
CN-117946205-A 2-Gly-dihydroisoquinoline-3S-formyl-AA of IL-10 agonist, preparation and antitumor application 首都医科大学 2024-04-30 — — CN disclosed
CN-115477656-B Dioxahexacyclic-tetrahydrocarboline-3-formylamino acid targeting P-selectin, preparation and application 首都医科大学 2024-04-19 — — CN disclosed
CN-117720616-A IL-8 agonist 2-Trp-dihydroisoquinoline-3S-formyl-AA, and preparation and antitumor application thereof 首都医科大学 2024-03-19 — — CN disclosed
CN-117567553-A 2-Thr-dihydroisoquinoline-3S-formyl-AA as IL-2 agonist, and preparation and antitumor application thereof 首都医科大学 2024-02-20 — — CN disclosed
CN-117567552-A Four 2-Thr-tetrahydroisoquinoline-3S-formyl-AA compounds of IL-2 agonist, preparation and application 首都医科大学 2024-02-20 — — CN disclosed
CN-117510579-A 2-Trp-tetrahydroisoquinoline-3S-formyl-AA of IL-8 agonist and preparation and application thereof 首都医科大学 2024-02-06 — — CN disclosed
CN-117510575-A 2-Gly-tetrahydroisoquinoline-3S-formyl-AA compound of IL-10 agonist, and preparation and application thereof 首都医科大学 2024-02-06 — — CN disclosed
CN-117510577-A 2-Asn-dihydroisoquinoline-3S-formyl-AA of TNF-alpha agonist, preparation and anti-tumor application 首都医科大学 2024-02-06 — — CN disclosed
CN-117510578-A TNF-alpha inhibitor 2-Asn-tetrahydroisoquinoline-3S-formyl-AA, preparation and application 首都医科大学 2024-02-06 — — CN disclosed
CN-115477656-A Dioxane-tetrahydro carboline-3-formylamino acid with P-selectin as target and preparation and application thereof 首都医科大学 2022-12-16 — — CN disclosed
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US disclosed
US-10973923-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 — — US disclosed
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-29 — — US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 — — 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 (4 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-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C SLC1A1 1596/4885SLC1A3 1047/4885SLC1A2 1881/4885
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C SLC1A1 2804/4885SLC1A3 2798/4885SLC1A2 3137/4885
US-10973923-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C SLC1A1 2804/4885SLC1A3 2798/4885SLC1A2 3137/4885
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C SLC1A1 2804/4885SLC1A3 2798/4885SLC1A2 3137/4885

“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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