SCHEMBL17730076

SCHEMBL17730076

CCC(C(=O)O)C1CCC(c2cnc3ccccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.42
SLC6A4 P31645 1/20 0.41
MGAM O43451 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 3/20 0.40
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
HPGDS O60760 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL17729969 0.88 CYP1A2 (0.41) PSMB5SLC6A4KDM4ERAB9AKDR
SCHEMBL17729992 0.81 SLC6A4 (0.44) PSMB5SLC6A4KDM4E
SCHEMBL17729234 0.80 CYP1A2 (0.42) PSMB5SLC6A4KDM4ERAB9ALMNA
SCHEMBL4976355 0.79 SLC18A3 (0.47) KDM4ERAB9ANPC1ALDH1A1AKR1C3
SCHEMBL1171605 0.79 SLC18A3 (0.47) KDM4ERAB9ANPC1ALDH1A1AKR1C3
SCHEMBL17785558 0.78 KDM4E (0.56) PSMB5SLC6A4MGAMKDM4EALDH1A1
SCHEMBL17730074 0.78 IDO1 (0.52) KDM4ERAB9AKDRNPC1TRPV1
SCHEMBL17742827 0.78 IDO1 (0.52) KDM4ERAB9AKDRNPC1TRPV1
SCHEMBL17746214 0.78 IDO1 (0.52) KDM4ERAB9AKDRNPC1TRPV1
SCHEMBL17742800 0.78 IDO1 (0.52) KDM4ERAB9AKDRNPC1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 US disclosed
EP-3215142-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 US disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
WO-2016073774-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT PSMB5 1981/4885SLC6A4 1877/4885MGAM 1046/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT PSMB5 1981/4885SLC6A4 1877/4885MGAM 1046/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT PSMB5 1981/4885SLC6A4 1877/4885MGAM 1046/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT PSMB5 1981/4885SLC6A4 1877/4885MGAM 1046/4885

“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.