SCHEMBL17035941

SCHEMBL17035941

CC(C)(C)C(=O)CC[S+]([O-])Cc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 6/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CTSC P53634 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL17038877 0.84 CYP2C19 (0.40) CYP2C19USP2POLBHPGDTDP1
SCHEMBL25097666 0.80 CYP2C19 (0.41) CYP2C19USP2POLBHPGDTDP1
SCHEMBL10653119 0.77 RIPK1 (0.49) RIPK1CYP2C19USP2POLBHPGD
SCHEMBL17035939 0.74 RIPK1 (0.39) RIPK1POLBHPGDTDP1ALDH1A1
SCHEMBL13012140 0.74 SMN1; SMN2 (0.48) RIPK1CYP2C19USP2POLBTDP1
SCHEMBL22194580 0.73 CTSK (0.40) RIPK1CYP2C19POLBHPGDALDH1A1
SCHEMBL20892261 0.73 CTSK (0.40) RIPK1CYP2C19POLBHPGDALDH1A1
SCHEMBL6870551 0.73 HPGD (0.51) RIPK1CYP2C19POLBHPGDALDH1A1
SCHEMBL11414521 0.72 CYP2C19 (0.47) CYP2C19USP2POLBHPGDTDP1
Cyclohexane SCHEMBL27537328 0.69 HPGD (0.47) RIPK1CYP2C19POLBHPGDALDH1A1

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-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone 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-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders CFD, C9, CFH RIPK1 931/4885CYP2C19 3353/4885USP2 3971/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH RIPK1 931/4885CYP2C19 3353/4885USP2 3971/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH RIPK1 931/4885CYP2C19 3353/4885USP2 3971/4885

“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.