SCHEMBL18545705

SCHEMBL18545705

CC(C)c1cc(-c2nnc(O)n2-c2ccc3c(ccn3CCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)c2)c(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.45
HSP90AB1 P08238 10/20 0.45
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
SENP1 Q9P0U3 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMD11 O00231 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL15613188 1.00 HSP90AA1 (0.45) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL15525934 1.00 HSP90AA1 (0.45) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL15613111 0.98 SENP1 (0.44) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL16731416 0.98 SENP1 (0.44) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL16713218 0.98 SENP1 (0.44) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL15526242 0.97 HSP90AA1 (0.42) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL28343540 0.95 HSP90AA1 (0.44) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL23134912 0.91 HSP90AB1 (0.45) HSP90AA1HSP90AB1
SCHEMBL20820234 0.91 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL18844594 0.90 HSP90AB1 (0.44) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828315-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
US-20200316090-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. 2020-10-08 US disclosed
US-10675360-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-9956293-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170128580-A1 TARGETED THERAPEUTICS TARVEDA THERAPEUTICS, INC. 2017-05-11 US disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 US disclosed
US-20170049899-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-02-23 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 (6 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-20200316090-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885
US-20170128580-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885
US-20170049899-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885
US-10675360-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885
US-10828315-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885CA12 4105/4885

“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.