SCHEMBL19122847

SCHEMBL19122847

CCCN(CCS(=O)(=O)F)CC(O)COc1ccccc1C(=O)CCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 17/20 0.71
▸ TSHR P16473 2/20 0.71
▸ LMNA P02545 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ KCNH2 Q12809 2/20 0.58
▸ KCNK3 O14649 1/20 0.58
▸ SLC22A1 O15245 1/20 0.58
▸ ABCC9 O60706 1/20 0.58
▸ KCNK2 O95069 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ ADRB3 P13945 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58

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
SCHEMBL10123922 0.87 ABCB1 (0.89) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL1331282 0.84 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL8191703 0.82 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL11918307 0.81 ABCB1 (0.78) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL29684673 0.81 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL31619340 0.79 ABCB1 (0.76) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL10109275 0.79 ABCB1 (0.76) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL2739140 0.79 ABCB1 (0.74) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL31619332 0.78 KCNH2 (0.85) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL2739138 0.77 ABCB1 (0.71) ABCB1TSHRLMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-07-13 — — 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 (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-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF CYP2F1, NAF1, CYP2S1 ABCB1 2090/4885TSHR 409/4885LMNA 2051/4885

“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.

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