SCHEMBL14199849

SCHEMBL14199849

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
MME P08473 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14179673 1.00 CA2 (0.42) CA2CA4MMEALDH1A1MEN1
SCHEMBL25761661 1.00 CA2 (0.42) CA2CA4MMEALDH1A1MEN1
SCHEMBL23142773 0.86 MME (0.47) CA2CA4MMEALDH1A1MEN1
SCHEMBL2916092 0.85 CA2 (0.48) CA2CA4MMETDP1FOLH1
SCHEMBL22019 0.85 CA2 (0.48) CA2CA4MMETDP1FOLH1
SCHEMBL2910640 0.85 CA2 (0.48) CA2CA4MMETDP1FOLH1
SCHEMBL1457564 0.85 CA2 (0.48) CA2CA4MMETDP1FOLH1
SCHEMBL13233705 0.84 FNTA (0.35) CA2CA4MMEALDH1A1TDP1
SCHEMBL21224515 0.84 CA2 (0.41) CA2CA4MMEALDH1A1TDP1
SCHEMBL20760840 0.84 CA2 (0.41) CA2CA4MMEALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 US disclosed
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CA2 2750/4885CA4 2200/4885MME 4816/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI CA2 2980/4885CA4 3581/4885MME 4718/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CA2 2750/4885CA4 2200/4885MME 4816/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 CA2 2487/4885CA4 3091/4885MME 1100/4885

“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.