SCHEMBL17776293

SCHEMBL17776293

O=C1CCCSCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.60
▸ MAOB P27338 5/20 0.60
▸ CYP2A6 P11509 1/20 0.60
▸ ACHE P22303 1/20 0.46
▸ CES1 P23141 2/20 0.45
▸ BCHE P06276 1/20 0.42
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL17776287 0.89 MAOA (0.53) MAOAMAOBCYP2A6ACHECES1
Tetrahydrothiophene SCHEMBL27973737 0.81 MAOA (0.78) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL1984962 0.78 ACHE (0.54) MAOAMAOBCYP2A6ACHECES1
SCHEMBL4872563 0.77 CES1 (0.54) MAOAMAOBCYP2A6ACHECES1
SCHEMBL18716863 0.76 MAOA (0.91) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL29351871 0.76 MAOA (1.00) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL44545 0.76 MAOA (1.00) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL29766301 0.76 MAOA (0.91) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL4573854 0.76 MAOA (0.91) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL18607288 0.76 MAOA (0.91) MAOAMAOBCYP2A6CES1BCHE

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-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2018-07-31 — — US disclosed
US-10023614-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2018-07-17 — — US disclosed
US-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-03-22 — — US disclosed
US-20180079783-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-03-22 — — US disclosed
US-20180022778-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-01-25 — — US disclosed
US-9624268-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2017-04-18 — — US disclosed
US-20160145306-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2016-05-26 — — 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 (6 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-20180079783-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP MAOA 4865/4885MAOB 4834/4885CYP2A6 3910/4885
US-20160145306-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP MAOA 4865/4885MAOB 4834/4885CYP2A6 3910/4885
US-10023614-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases IL23R, IL1RN, VIP MAOA 4805/4885MAOB 4681/4885CYP2A6 4264/4885
US-20180022778-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP MAOA 4865/4885MAOB 4834/4885CYP2A6 3910/4885
US-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP MAOA 4865/4885MAOB 4834/4885CYP2A6 3910/4885
US-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases IL23R, IL1RN, VIP MAOA 4805/4885MAOB 4681/4885CYP2A6 4264/4885

“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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