SCHEMBL12020165

SCHEMBL12020165

O=[N+]([O-])c1cc(S)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HIF1A Q16665 1/20 0.62
VCAM1 P19320 1/20 0.58
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 7/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
ESPL1 Q14674 1/20 0.40

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
SCHEMBL11579276 0.78 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL29462663 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL1970698 0.78 CASP6 (0.39) ALDH1A1HIF1AATMTDP1LMNA
SCHEMBL102780 0.78 ATM (0.69) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL29349904 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL29580152 0.77 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL306375 0.77 ALDH1A1 (0.64) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL27715742 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1ATMTDP1
Hydrogen Sulfide SCHEMBL21810723 0.77 ATM (0.67) ALDH1A1HIF1AVCAM1ATMTDP1
SCHEMBL35276 0.77 ALDH1A1 (1.00) ALDH1A1HIF1AVCAM1ATMTDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2024-04-30 US disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 CN disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-3414224-B1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-03-23 EP disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
CN-113896685-A Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2022-01-07 CN disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
EP-3414224-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) Inventisbio Inc. (KY) 2018-12-19 EP disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO disclosed
EP-2491785-A1 Method and compositions for treating HIV infections Purdue Research Foundation (US) 2012-08-29 EP 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 (5 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885

“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.