Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1901623

CCCC(NC(=S)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OC.N

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.40
UCHL1 P09936 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 12/20 0.40
CTSB P07858 1/20 0.36

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
SCHEMBL13521408 0.99 TACR3 (0.41) TACR3UCHL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13997770 0.99 TACR3 (0.41) TACR3UCHL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13521221 0.99 TACR3 (0.41) TACR3UCHL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8275345 0.95 KDM4E (0.41) TACR3UCHL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12676433 0.93 MCL1 (0.47) TACR3MCL1
SCHEMBL13519795 0.93 MCL1 (0.47) TACR3MCL1
SCHEMBL13451514 0.93 MCL1 (0.47) TACR3MCL1
SCHEMBL13521411 0.93 MCL1 (0.47) TACR3MCL1
SCHEMBL8274500 0.90 TACR3 (0.40) TACR3UCHL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13521409 0.90 TACR3 (0.40) TACR3UCHL1KDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20060122123-A1 Antiviral compounds GILEAD SCIENCES, INC. 2006-06-08 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 (2 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-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA TACR3 4636/4885UCHL1 3926/4885KDM4E 2067/4885
US-20060122123-A1 Antiviral compounds EIF2AK2, MAVS, ITPA TACR3 4636/4885UCHL1 3926/4885KDM4E 2067/4885

“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.