SCHEMBL3719401

SCHEMBL3719401

CC(C)OC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.57
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MME P08473 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CPA1 P15085 3/20 0.55
ACE2 Q9BYF1 3/20 0.55
ITGB3 P05106 1/20 0.55
ITGB1 P05556 1/20 0.55
ITGAV P06756 1/20 0.55
ITGA2B P08514 1/20 0.55
ITGB5 P18084 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.52
FPR2 P25090 1/20 0.52

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
SCHEMBL3719400 1.00 ACE (0.57) ACELMNATDP1MMEL3MBTL1
SCHEMBL18837326 0.88 ITGB1 (0.53) ACELMNATDP1MMEL3MBTL1
SCHEMBL22927898 0.87 MMP1 (0.58)
SCHEMBL9828843 0.86 ITGB3 (0.52) ACEMMEL3MBTL1CPA1ACE2
SCHEMBL10460259 0.85 MME (0.50) ACELMNATDP1MMEL3MBTL1
SCHEMBL8493838 0.85 CTSG (0.55) ACEITGB3ITGB1ITGAVITGA2B
SCHEMBL11148827 0.85 MME (0.63) ACEMMECPA1ACE2
SCHEMBL205548 0.85 MME (0.59) ACEMMEL3MBTL1CPA1ACE2
SCHEMBL627437 0.85 MME (0.59) ACEMMEL3MBTL1CPA1ACE2
SCHEMBL754129 0.85 MME (0.59) ACEMMEL3MBTL1CPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US claimed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 US claimed
WO-2010138644-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. (US) 2010-12-02 WO claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines PTC THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS INC (US) 2019-05-09 US disclosed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 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-10947231-B2 Processes for the preparation of substituted tetrahydro beta-carbolines TPH1, TPH2, HTR1B ACE 1976/4885LMNA 2506/4885TDP1 1420/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B ACE 1877/4885LMNA 2346/4885TDP1 1487/4885
US-20190135810-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B ACE 1976/4885LMNA 2506/4885TDP1 1420/4885

“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.