SCHEMBL1966885

SCHEMBL1966885

CCCCN(C(=O)c1cccnc1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.69
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
UBE2N P61088 1/20 0.56
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL3628027 0.93 S1PR1 (0.61) S1PR1HSD17B10MAPTALDH1A1KDM4E
SCHEMBL1964962 0.90 S1PR1 (0.64) S1PR1HSD17B10MAPTALDH1A1KDM4E
SCHEMBL1967851 0.86 S1PR1 (0.77) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1966747 0.85 S1PR1 (0.69) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1970812 0.84 S1PR1 (0.60) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1966161 0.83 S1PR1 (0.68) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1969999 0.83 HSD17B10 (0.56) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1967413 0.81 KDM4E (0.57) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1971713 0.81 S1PR1 (0.71) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1966270 0.81 S1PR1 (0.76) S1PR1HSD17B10ALDH1A1KDM4ESMN1; SMN2

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 11 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-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP claimed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO 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 3/4885HSD17B10 2496/4885MAPT 3965/4885

“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.