SCHEMBL18112004

SCHEMBL18112004

COC(=O)CC1(c2ccc(F)cc2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
P2RX7 Q99572 4/20 0.46
ALDH1A1 P00352 3/20 0.45
CACNA1G O43497 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ICMT O60725 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL5365203 0.86 P2RX7 (0.56) P2RX7ALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL30090979 0.85 L3MBTL1 (0.56) P2RX7ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL18111428 0.82 HSD11B1 (0.71) HSD11B1P2RX7ALDH1A1CACNA1GL3MBTL1
Trifluoroacetic Acid SCHEMBL5371514 0.81 ALDH1A1 (0.42) P2RX7ALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL18110612 0.78 TDP1 (0.49) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL12614285 0.75 SLC6A3 (0.45) HSD11B1P2RX7CACNA1GICMTSLC6A4
SCHEMBL4699181 0.75 TACR1 (0.48) HSD11B1
SCHEMBL14711534 0.74 HPGD (0.47) HSD11B1ALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL15897753 0.74 POLB (0.48) HSD11B1P2RX7ALDH1A1L3MBTL1POLB
SCHEMBL14794814 0.74 OPRM1 (0.40) HSD11B1P2RX7ALDH1A1POLBLMNA

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 14 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
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
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-3277671-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
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-2016161279-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
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 HSD11B1 916/4885P2RX7 2411/4885ALDH1A1 707/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT HSD11B1 916/4885P2RX7 2411/4885ALDH1A1 707/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HSD11B1 296/4885P2RX7 2716/4885ALDH1A1 263/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HSD11B1 296/4885P2RX7 2716/4885ALDH1A1 263/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HSD11B1 296/4885P2RX7 2716/4885ALDH1A1 263/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT HSD11B1 916/4885P2RX7 2411/4885ALDH1A1 707/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HSD11B1 296/4885P2RX7 2716/4885ALDH1A1 263/4885

“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.