SCHEMBL18110925

SCHEMBL18110925

CCC(CC(=O)OC)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6578974 0.91 ALDH1A1 (0.60) HTTALDH1A1MAPTHDAC8HDAC6
SCHEMBL7566284 0.85 F2 (0.48) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL6581020 0.85 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL6581305 0.85 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL6581023 0.85 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL18110789 0.85 ALDH1A1 (0.55) HTTALDH1A1MAPTHDAC8HDAC6
SCHEMBL13743801 0.85 ESR1 (0.51) HTTALDH1A1MAPTHDAC8HDAC6
SCHEMBL10285065 0.85 ESR1 (0.51) HTTALDH1A1MAPTHDAC8HDAC6
SCHEMBL6579159 0.84 HTT (0.54) HTTALDH1A1MAPTHDAC8HDAC6
SCHEMBL21775040 0.83 HDAC8 (0.47) HTTALDH1A1MAPTHDAC8HDAC6

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 17 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
CN-108093636-A Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer 百时美施贵宝公司 2018-05-29 CN disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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
CN-107743481-A Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer 百时美施贵宝公司 2018-02-27 CN disclosed
CN-107743490-A For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors 百时美施贵宝公司 2018-02-27 CN disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277672-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP 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
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO 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 (7 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT HTT 1713/4885ALDH1A1 707/4885MAPT 1988/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT HTT 1713/4885ALDH1A1 707/4885MAPT 1988/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HTT 3300/4885ALDH1A1 263/4885MAPT 3241/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTT 3300/4885ALDH1A1 263/4885MAPT 3241/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HTT 3300/4885ALDH1A1 263/4885MAPT 3241/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT HTT 1713/4885ALDH1A1 707/4885MAPT 1988/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTT 3300/4885ALDH1A1 263/4885MAPT 3241/4885

“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.