SCHEMBL19002576

SCHEMBL19002576

COc1ccc(COCC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PLA2G4B P0C869 1/20 0.49
FFAR1 O14842 2/20 0.49
LDHA P00338 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
F2RL1 P55085 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7720191 0.85 HTT (0.53) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL99313 0.85 FFAR1 (0.57) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4706402 0.84 HTT (0.56) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL7364455 0.84 IDO1 (0.53) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL11196123 0.82 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10072105 0.82 HTT (0.50) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10305879 0.81 RAB9A (0.51) NPC1RAB9APOLBAGXTCA1
SCHEMBL19599654 0.81 FFAR1 (0.51) SMN1; SMN2FFAR1ALDH1A1
SCHEMBL17174018 0.81 MAOB (0.51) HTTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL17553364 0.81 RXRA (0.47) HTTSMN1; SMN2NPC1RAB9APOLB

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
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US 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-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HTT 3960/4885SMN1; SMN2 3555/4885NPC1 2606/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HTT 3960/4885SMN1; SMN2 3555/4885NPC1 2606/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HTT 4394/4885SMN1; SMN2 4331/4885NPC1 2024/4885

“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.