SCHEMBL21089953

SCHEMBL21089953

CC(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.50
▸ ITGB2 P05107 3/20 0.47
▸ ICAM1 P05362 3/20 0.47
▸ ITGAL P20701 3/20 0.47
▸ HRH4 Q9H3N8 3/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.45

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
SCHEMBL16364168 0.87 CYP3A4 (0.54) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL22392772 0.86 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL1160796 0.86 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL1161102 0.86 SLC15A2 (0.63) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL10031610 0.85 SLC6A5 (0.53) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL16551861 0.85 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL18381307 0.85 CYP3A4 (0.52) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL28181512 0.85 ITGB2 (0.65) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL27776508 0.85 SLC15A2 (0.61) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL30129832 0.85 SLC15A2 (0.61) CYP3A4CYP2D6TSHRCYP2C19LMNA

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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps CELLIX BIO PRIVATE LIMITED (IN) 2022-01-18 — — US disclosed
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 — — 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-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS CELLIX BIO PRIVATE LIMITED (IN) 2020-06-18 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps APC, LPXN, SCNN1G CYP3A4 82/4885CYP2D6 144/4885TSHR 2291/4885
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CYP3A4 20/4885CYP2D6 6/4885TSHR 3380/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI CYP3A4 94/4885CYP2D6 19/4885TSHR 4094/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 CYP3A4 20/4885CYP2D6 6/4885TSHR 3380/4885
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G CYP3A4 82/4885CYP2D6 144/4885TSHR 2291/4885
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G CYP3A4 82/4885CYP2D6 144/4885TSHR 2291/4885
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG CYP3A4 25/4885CYP2D6 34/4885TSHR 2049/4885

“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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