SCHEMBL21773896

SCHEMBL21773896

CCO[C@@H](c1ccc([C@@H](COC)CC(=O)O)cc1Nc1cnc(OC)nc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 6/20 0.33
▸ FFAR1 O14842 9/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL21773839 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21773800 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21773837 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21783859 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21773797 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21773799 1.00 ALDH1A1 (0.33) ALDH1A1MAPK1FFAR1SMN1; SMN2PPARG
SCHEMBL21773670 0.93 FFAR1 (0.37) ALDH1A1FFAR1SMN1; SMN2PPARGGAA
SCHEMBL21773659 0.93 FFAR1 (0.37) ALDH1A1FFAR1SMN1; SMN2PPARGGAA
SCHEMBL21773673 0.93 FFAR1 (0.37) ALDH1A1FFAR1SMN1; SMN2PPARGGAA
SCHEMBL21773657 0.93 FFAR1 (0.37) ALDH1A1FFAR1SMN1; SMN2PPARGGAA

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-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-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 ALDH1A1 952/4885MAPK1 2821/4885FFAR1 3772/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 952/4885MAPK1 2821/4885FFAR1 3772/4885

“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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