SCHEMBL18122080

SCHEMBL18122080

CC(=O)Nc1ccc2c(c1)CS(=O)(=O)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ BAZ2B Q9UIF8 1/20 0.49
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 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
SCHEMBL19232055 0.82 KMT2A (0.65) NPC1RAB9ANPSR1HTTSMN1; SMN2
SCHEMBL12204580 0.79 NPC1 (0.66) CYP1A2NPC1RAB9ACYP2C19NPSR1
SCHEMBL2962505 0.77 MAOA (0.84) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL1673429 0.75 BAZ2B (0.69) NPC1RAB9ABAZ2BHTTSMN1; SMN2
SCHEMBL2245582 0.75 BAZ2B (0.64) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL4591071 0.75 NPC1 (0.53) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL4864881 0.75 MAOA (0.60) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL2244056 0.74 BAZ2B (0.67) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL531907 0.74 CYP1A2 (0.55) MAOACYP1A2ADRA2ASLC6A2HTR2C
SCHEMBL2246315 0.72 CYP1A2 (0.54) MAOACYP1A2ADRA2ASLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 — — US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 — — US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 — — US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 — — US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 — — 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 (4 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-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAOA 29/4885CYP1A2 735/4885ADRA2A 3213/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAOA 10/4885CYP1A2 192/4885ADRA2A 1612/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAOA 10/4885CYP1A2 192/4885ADRA2A 1612/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAOA 29/4885CYP1A2 735/4885ADRA2A 3213/4885

“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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