SCHEMBL22077205

SCHEMBL22077205

O=C(O)c1cnc(C2=CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
PTGER4 P35408 2/20 0.38
ASPH Q12797 1/20 0.36
ACMSD Q8TDX5 2/20 0.36
VNN1 O95497 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
LRRK2 Q5S007 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
P2RY14 Q15391 1/20 0.33
RBP4 P02753 1/20 0.33
RORC P51449 2/20 0.32
DHODH Q02127 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL24860779 0.75 PDE3B (0.47) ACMSDPDE3BPDE3AP2RY14
SCHEMBL14761710 0.74 L3MBTL1 (0.44) ACMSDL3MBTL1P2RY14
SCHEMBL31702344 0.73 GRM1 (0.53) TRPV1
SCHEMBL2936346 0.71 PDE3B (0.44) ACMSDPDE3BPDE3AP2RY14RORC
SCHEMBL6226027 0.71 KDM4E (0.50) TRPV1VNN1NTRK1NTRK3RORC
Hydrochloric Acid SCHEMBL6220633 0.70 KDM4E (0.49) TRPV1VNN1NTRK1NTRK3RORC
SCHEMBL14761699 0.70 L3MBTL1 (0.43) PTGER4ACMSDL3MBTL1P2RY14
SCHEMBL2705196 0.70 ASPH (0.46) TRPV1ASPHVNN1L3MBTL1RORC
SCHEMBL22530056 0.68 ASPH (0.45) TRPV1ASPHVNN1L3MBTL1RBP4
SCHEMBL15358062 0.68 MAP4K4 (0.47) ASPHVNN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 WO disclosed
WO-2020114477-A1 COMPOUND ACTING AS IMMUNOMODULATOR, PREPARATION METHOD THEREFOR AND USES THEREOF 上海济煜医药科技有限公司 2020-06-11 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 (1 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 TRPV1 228/4885PTGER4 1345/4885ASPH 3580/4885

“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.