SCHEMBL17268551

SCHEMBL17268551

CO[C@H](CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)C[C@H](CC(=O)OC(C)O[N+](=O)[O-])OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.60
▸ ABCB11 O95342 3/20 0.60
▸ ABCC3 O15438 2/20 0.60
▸ ABCC4 O15439 2/20 0.60
▸ SLCO1B3 Q9NPD5 2/20 0.60
▸ HMGCR P04035 6/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ RHOC P08134 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ PDE6D O43924 4/20 0.53
▸ ABCB1 P08183 1/20 0.48
▸ ABCC2 Q92887 1/20 0.48

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
SCHEMBL20130319 0.95 SLCO1B1 (0.59) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL14526747 0.87 HMGCR (0.64) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL12285672 0.81 HMGCR (0.83) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL12558520 0.81 HMGCR (0.83) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL28552009 0.81 HMGCR (0.83) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL2539128 0.80 SLCO1B1 (0.66) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL2539127 0.80 SLCO1B1 (0.66) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL2539132 0.80 SLCO1B1 (0.66) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL14414021 0.80 HMGCR (0.62) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL9366015 0.79 HMGCR (0.72) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9844599-B2 Nitric oxide releasing produgs of therapeutic agents SATYAM APPARAO (IN) 2017-12-19 — — US disclosed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 — — 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-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS SLCO1B1 1304/4885ABCB11 1174/4885ABCC3 1387/4885

“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.

Send feedback