SCHEMBL21773700

SCHEMBL21773700

CCO[C@H](c1ccc([C@H](CC)CC(=O)O)cc1NC(=O)Nc1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PAX8 Q06710 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
SCHEMBL21773738 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773640 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773835 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773641 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773740 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773643 1.00 IDO1 (0.44) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773629 0.92 IDO1 (0.42) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773873 0.92 IDO1 (0.42) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773625 0.92 IDO1 (0.42) IDO1KMT2AMEN1MAPTRAB9A
SCHEMBL21773627 0.92 IDO1 (0.42) IDO1KMT2AMEN1MAPTRAB9A

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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — US claimed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — US claimed
US-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — US disclosed
US-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — US disclosed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — US disclosed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — 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 (2 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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885KMT2A 608/4885MEN1 2860/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885KMT2A 608/4885MEN1 2860/4885

“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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