SCHEMBL21391467

SCHEMBL21391467

CCC(=O)NCCOC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.35
IARS1 P41252 2/20 0.35

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
SCHEMBL20306056 0.82 MEN1 (0.48) MEN1KMT2ARECQL
SCHEMBL12385783 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL85848 0.79 CYP2D6 (0.43) MEN1KMT2A
SCHEMBL14493157 0.79 KMT2A (0.48) MEN1KMT2ARECQLALDH1A1
SCHEMBL12523122 0.79 MAPK1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL24851402 0.79 MEN1 (0.43) MEN1KMT2ARECQLALDH1A1
SCHEMBL16316315 0.79 MEN1 (0.54) MEN1KMT2ARECQL
SCHEMBL13848563 0.79 MEN1 (0.54) MEN1KMT2ARECQLALDH1A1
SCHEMBL22742401 0.78 EPHX1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL22844702 0.78 MCL1 (0.55) MEN1KMT2AALDH1A1IARS1

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 4 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-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION CELLIX BIO PRIVATE LTD (IN) 2022-02-17 US disclosed
US-10858349-B2 Compositions and methods for the treatment of cancer CELLIX BIO PRIVATE LIMITED (IN) 2020-12-08 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 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-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IL1B, IL36G, IL17A MEN1 4256/4885KMT2A 4393/4885RECQL 1889/4885
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 MEN1 3871/4885KMT2A 4756/4885RECQL 245/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885RECQL 625/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885RECQL 625/4885

“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.