SCHEMBL8886017

SCHEMBL8886017

C=CCOc1ccc(C[C@H](N)C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2D6 P10635 1/20 0.43
ITGB3 P05106 1/20 0.43

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
SCHEMBL8886558 1.00 LTA4H (0.47) LTA4HADRB2ADRB1ADRB3NPC1
Hydrochloric Acid SCHEMBL27586224 0.99 LTA4H (0.46) LTA4HADRB2ADRB1ADRB3NPC1
Hydrochloric Acid SCHEMBL5759568 0.99 LTA4H (0.46) LTA4HADRB2ADRB1ADRB3NPC1
SCHEMBL18025353 0.87 CA12 (0.44) LTA4HADRB2ADRB1ADRB3NPC1
SCHEMBL25937506 0.87 NPC1 (0.47) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL12710300 0.86 LTA4H (0.47) LTA4HALDH1A1ITGB3ITGA2BPTGS2
SCHEMBL15697332 0.85 ADRB2 (0.45) LTA4HADRB2ADRB1ADRB3NPC1
SCHEMBL18774800 0.84 CYP2D6 (0.47) LTA4HADRB2ADRB1ADRB3NPC1
SCHEMBL8404165 0.84 CYP2D6 (0.47) LTA4HADRB2ADRB1ADRB3NPC1
SCHEMBL524638 0.84 ITGB3 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1

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-20250171495-A1 MUTLI-TARGETED SERINE PROTEASE INHIBITORS FOR TREATMENT OF CANCER AND VIRAL INFECTION WASHINGTON UNIVERSITY 2025-05-29 US disclosed
US-5643784-A TREATMENT OF ANXIETY, DEPRESSION, SLEEPING DISORDERS, SCHIZOPHRENIA AND MIGRAINE H, LUNDBECK A/S (DK) 1997-07-01 US disclosed
US-5599926-A PEPTIDE BONDING PROPERTIES MAKE IT USEFUL IN PURIFICATION PROCESSES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-02-04 US disclosed
WO-1995020590-A1 ENANTIOSELECTIVE RECEPTORS FOR AMINO ACID DERIVATIVES, AND OTHER COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-03 WO disclosed
EP-0560868-B1 INDAN DERIVATIVES LUNDBECK & CO AS H (DK) 1995-04-19 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-20250171495-A1 MUTLI-TARGETED SERINE PROTEASE INHIBITORS FOR TREATMENT OF CANCER AND VIRAL INFECTION TMPRSS2, PRSS1, PRSS2 LTA4H 2097/4885ADRB2 4528/4885ADRB1 4339/4885

“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.