SCHEMBL17036656

SCHEMBL17036656

CC(C)(C)[S+]([O-])c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL776863 0.75 GPR3 (0.39) LMNACYP3A4ALDH1A1ALOX15MEN1
SCHEMBL5527174 0.75 GPR3 (0.39) LMNACYP3A4ALDH1A1ALOX15MEN1
SCHEMBL17036665 0.74 KIF11 (0.39) KIF11LMNAMAPTCYP3A4ALDH1A1
SCHEMBL16139498 0.73 ACHE (0.40) ALDH1A1HSD17B10MEN1TSHRKMT2A
Fluoride SCHEMBL775530 0.73 GPR3 (0.38) ALDH1A1ALOX15TSHRMAPK1
SCHEMBL16174416 0.73 ACHE (0.40) ALDH1A1HSD17B10MEN1TSHRKMT2A
SCHEMBL16174370 0.73 ACHE (0.40) ALDH1A1HSD17B10MEN1TSHRKMT2A
SCHEMBL6973593 0.72
SCHEMBL23056995 0.71 TSHR (0.44) KIF11LMNAMAPTALDH1A1HPGD
SCHEMBL17036662 0.71 CYP19A1 (0.32)

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
US-10689409-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-16 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 KIF11 4641/4885LMNA 1952/4885MAPT 3981/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 KIF11 4641/4885LMNA 1952/4885MAPT 3981/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 KIF11 4641/4885LMNA 1952/4885MAPT 3981/4885

“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.