SCHEMBL27169447

SCHEMBL27169447

N#Cc1ccc(C[C@H](O)[C@@H](N)C(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.42
▸ S1PR3 Q99500 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SLC7A5 Q01650 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
SCHEMBL23279726 0.85 SLC7A5 (0.53) ADRA1DNOS3NOS1KDM4EUSP2
Hydrochloric Acid SCHEMBL18893773 0.83 SLC7A5 (0.51) ADRA1DKDM4EUSP2EGFRLCK
Hydrochloric Acid SCHEMBL18893771 0.83 SLC7A5 (0.51) ADRA1DKDM4EUSP2EGFRLCK
SCHEMBL27169443 0.74 AR (0.38) AR
SCHEMBL2723164 0.73 CA2 (0.59) ADRA1DS1PR3MRGPRX4TRPV4KDM4E
SCHEMBL12499186 0.72 ADRA1D (0.51) ADRA1DS1PR3MRGPRX4NOS3NOS1
SCHEMBL9200423 0.71 TRPV4 (0.47) ADRA1DNOS3NOS1TRPV4AR
SCHEMBL2475056 0.71 FFAR1 (0.52) ADRA1DMRGPRX4TRPV4
SCHEMBL5047623 0.69 TRPV4 (0.52) ADRA1DNOS3NOS1TRPV4AR
SCHEMBL22645609 0.69 SLC1A3 (0.67) PTGS1SLC7A5SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006314-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2024-06-11 — — US disclosed
EP-4334314-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-03-13 — — EP disclosed
CN-117580839-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2024-02-20 — — CN disclosed
US-20220380364-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-12-01 — — US disclosed
WO-2022235585-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2022-11-10 — — WO 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 (2 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-20220380364-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NCOA1, NCOR1, NCOA3 ADRA1D 1480/4885S1PR3 2180/4885MRGPRX4 912/4885
US-12006314-B2 Anti-cancer nuclear hormone receptor-targeting compounds NR5A1, NCOA1, NR5A2 ADRA1D 511/4885S1PR3 2696/4885MRGPRX4 1323/4885

“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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