SCHEMBL19645684

SCHEMBL19645684

CC(C)(C)c1cccc(-c2cc(SC(F)(F)F)ccc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.34
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGES O14684 1/20 0.32
GRM5 P41594 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
SCHEMBL18309765 0.85 SMN1; SMN2 (0.39) CFTRKCNH2SMN1; SMN2IDH1IDH2
SCHEMBL17031844 0.85 CFTR (0.34) CFTRKDM4EPTGESGRM5
SCHEMBL18313969 0.84 GRM5 (0.43) CFTRKCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL17031823 0.76 PDE2A (0.43) KCNH2PTGES
SCHEMBL17031824 0.76 USP28 (0.42) ALDH1A1
SCHEMBL17031833 0.75 MEN1 (0.43) SMN1; SMN2ALDH1A1PTGES
SCHEMBL19822692 0.75 MPL (0.35) CFTRKCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL19091156 0.75 KDM4E (0.34) SMN1; SMN2IDH1IDH2KDM4EALDH1A1
SCHEMBL17031827 0.74 HSP90AA1 (0.51) SMN1; SMN2KDM4EALDH1A1
SCHEMBL17032674 0.74 CNR2 (0.47) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-03-21 US disclosed
US-9828396-B2 Alkyne compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-11-28 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 (1 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-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP CFTR 2055/4885KCNH2 4301/4885SMN1; SMN2 1554/4885

“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.