SCHEMBL17761664

SCHEMBL17761664

CC1(C[S+]([O-])CCOC(=O)ON2C(=O)c3ccccc3C2=O)COC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31
VDR P11473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17761641 0.81 L3MBTL1 (0.37) ALDH1A1LMNAGAAMAPTCYP1A2
SCHEMBL14193248 0.71 ALDH1A1 (0.59) ALDH1A1LMNAGAACYP1A2CYP2C9
SCHEMBL16668256 0.70 GAA (0.41) ALDH1A1LMNAGAAMAPTCYP1A2
SCHEMBL29212757 0.69 ELANE (0.50) ALDH1A1LMNAGAAMEN1TSHR
SCHEMBL31024260 0.69 ALDH1A1 (0.38) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL12471113 0.68 L3MBTL1 (0.48) ALDH1A1GAAKDM4EMAPTCYP1A2
SCHEMBL31126626 0.67 GAA (0.47) ALDH1A1GAAMAPTVDRCYP1A2
SCHEMBL4349429 0.67 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ETSHRHSD17B10
SCHEMBL8897656 0.66 CTRB1 (0.51) ALDH1A1LMNAMAPTCYP1A2CYP2C9
SCHEMBL2177419 0.65 ALDH1A1 (0.50) ALDH1A1GAAKDM4EMAPTVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 WO 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 ALDH1A1 2275/4885LMNA 4523/4885GAA 4242/4885

“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.