SCHEMBL19002600

SCHEMBL19002600

COCC(C)Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.41
SCN9A Q15858 5/20 0.39
THRB P10828 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
POLB P06746 2/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
GABRA5 P31644 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
LIPE Q05469 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
SCHEMBL20665403 0.87 HPGD (0.45) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL23467860 0.85 HPGD (0.50) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL19002602 0.84 HPGD (0.43) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL23222248 0.83 HPGD (0.47) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL16592106 0.82 HPGD (0.49) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL5796988 0.81 HPGD (0.43) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL217942 0.80 TSHR (0.50) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL15156139 0.80 MCHR1 (0.38) MAPK1CDK1CDK2KDRL3MBTL1
SCHEMBL19002676 0.79 MAPK1 (0.48) TSHRSMN1; SMN2HPGDMAPK1LMNA
SCHEMBL16511358 0.78 KDM4E (0.36) GABRA5

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-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP 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 (3 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-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TSHR 4307/4885SMN1; SMN2 3555/4885HPGD 2278/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TSHR 4307/4885SMN1; SMN2 3555/4885HPGD 2278/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 TSHR 4461/4885SMN1; SMN2 4331/4885HPGD 365/4885

“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.