SCHEMBL1964698

SCHEMBL1964698

COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(OC)c(C)c2)s1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.73
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.49
S1PR3 Q99500 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL1965962 0.96 S1PR1 (0.68) S1PR1ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL1968031 0.91 S1PR1 (0.61) S1PR1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1968240 0.90 S1PR1 (0.67) S1PR1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1963865 0.89 S1PR1 (0.57) S1PR1ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1965511 0.89 S1PR1 (0.58) S1PR1ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1964380 0.87 S1PR1 (0.58) S1PR1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1966814 0.86 S1PR1 (0.63) S1PR1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL12386199 0.84 NPC1 (0.58) S1PR1ALDH1A1HSD17B10MAPTCYP1A2
SCHEMBL1964091 0.81 S1PR1 (0.66) S1PR1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1966161 0.81 S1PR1 (0.68) S1PR1ALDH1A1HSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US claimed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP claimed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP 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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 S1PR1 3/4885ALDH1A1 1610/4885HSD17B10 2496/4885

“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.