SCHEMBL2805200

SCHEMBL2805200

CCOC(=O)c1cc(O)c2c(F)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.57
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCL2L1 Q07817 1/20 0.46
ALOX5 P09917 3/20 0.46
PTGES O14684 1/20 0.46
CFTR P13569 2/20 0.44
CDC25B P30305 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL29979507 1.00 PTPN11 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL29257012 0.83 PTPN11 (0.56) PTPN11CA12CA1CA2CA7
SCHEMBL15286078 0.83 PTPN11 (0.56) PTPN11CA12CA1CA2CA7
SCHEMBL26412236 0.82 CA12 (0.53) PTPN11CA12CA1CA2CA7
SCHEMBL2806526 0.82 PTPN11 (0.47) PTPN11CA12CA1CA2CA7
SCHEMBL163865 0.80 CA12 (0.57) PTPN11CA12CA1CA2CA7
SCHEMBL13131927 0.78 PTPN11 (0.44) PTPN11CA12CA1CA2CA7
Ethylgallate SCHEMBL7744669 0.77 CA12 (0.62) PTPN11CA12CA1CA2CA7
SCHEMBL12316948 0.75 CDC7 (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16055405 0.75 CA12 (0.63) PTPN11CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151551-B Macrocyclic indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2024-10-25 CN disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
EP-4107161-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 Janssen Pharmaceutica NV (BE) 2022-12-28 EP disclosed
CN-115151551-A Macrocyclic indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2022-10-04 CN disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 PTPN11 3789/4885CA12 4571/4885CA1 4330/4885
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 PTPN11 2769/4885CA12 4844/4885CA1 4642/4885

“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.