SCHEMBL29599043

SCHEMBL29599043

COc1cc(C(C)=O)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48

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
SCHEMBL660929 1.00 LMNA (0.55) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL28094523 0.86 CYP1A2 (0.68) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL313217 0.85 LMNA (0.73) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL30307554 0.85 HTT (0.73) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL156299 0.85 HTT (0.73) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL16957095 0.84 RAB9A (0.47) LMNARAB9AMAPK1HTTKMT2A
SCHEMBL22973 0.83 RAB9A (0.51) LMNARAB9AMAPK1HTTKMT2A
SCHEMBL157203 0.83 MAPT (0.62) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL3337646 0.83 MAPK1 (0.58) LMNARAB9AMAPK1HTTALDH1A1
SCHEMBL16866842 0.82 HTT (0.51) LMNARAB9AMAPK1HTTKMT2A

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-20240209001-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p. A. (IT) 2024-06-27 US disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
EP-4232451-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2023-08-30 EP disclosed
CN-116348468-A CFTR modulator compounds, compositions and uses thereof 日东制药株式会社 2023-06-27 CN disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 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-20240209001-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK3, JAK1 LMNA 4155/4885RAB9A 3268/4885MAPK1 98/4885

“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.