SCHEMBL19002523

SCHEMBL19002523

CNc1cc(C(=O)OC)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.64
MAPT P10636 2/20 0.47
CES2 O00748 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CFTR P13569 1/20 0.43
GPR35 Q9HC97 2/20 0.42
P2RX1 P51575 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL475762 0.86 NOTUM (0.77) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL1999038 0.86 NOTUM (0.77) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL12852699 0.85 KDM4E (0.45) NOTUMMAPTKDM4EALDH1A1CA12
SCHEMBL8506291 0.83 NOTUM (0.68) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL5117582 0.83 AKR1C3 (0.54) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL3531371 0.83 NOTUM (0.63) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL19002525 0.83 NOTUM (0.59) NOTUMMAPTCES2KDM4EALDH1A1
SCHEMBL5119432 0.83 NOTUM (0.59) NOTUMMAPTKDM4EALDH1A1GPR35
SCHEMBL3284842 0.82 KDM4E (0.59) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL10932496 0.82 CA12 (0.56) MAPTKDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (2 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-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS NOTUM 4685/4885MAPT 4169/4885CES2 4696/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 NOTUM 3394/4885MAPT 2731/4885CES2 4247/4885

“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.