SCHEMBL19251315

SCHEMBL19251315

CCCCCCCC(C)(CCCCCC)N1CC(N(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33
DNM1 Q05193 1/20 0.30
GUSB P08236 2/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19663438 1.00 SPHK1 (0.33) SPHK1DNM1GUSBEBPSIGMAR1
SCHEMBL21227093 1.00 SPHK1 (0.33) SPHK1DNM1GUSBEBPSIGMAR1
SCHEMBL22085914 0.84 SPHK1 (0.31) SPHK1
SCHEMBL18583670 0.83 SPHK1 (0.37) SPHK1
SCHEMBL19491909 0.83 SPHK1 (0.37) SPHK1
SCHEMBL20205239 0.83 SPHK1 (0.37) SPHK1
SCHEMBL21940826 0.81 SPHK1 (0.36) SPHK1
SCHEMBL21214491 0.79
SCHEMBL21291133 0.78 SPHK1 (0.33) SPHK1
SCHEMBL25144126 0.78 GUSB (0.32) GUSBEBPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof InventisBio Co., Ltd. (CN) 2021-08-17 US disclosed
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof JANSSEN BIOTECH, INC. (US) 2021-07-13 US disclosed
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2021-07-01 US disclosed
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-11-14 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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 (5 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-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof KRAS, NRAS, HRAS SPHK1 263/4885DNM1 267/4885GUSB 3454/4885
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof KRAS, NRAS, HRAS SPHK1 2146/4885DNM1 212/4885GUSB 1305/4885
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF KRAS, NRAS, HRAS SPHK1 263/4885DNM1 267/4885GUSB 3454/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 SPHK1 3326/4885DNM1 4778/4885GUSB 3386/4885
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS SPHK1 2146/4885DNM1 212/4885GUSB 1305/4885

“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.