SCHEMBL9510102

SCHEMBL9510102

C[C@H](O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNN4 O15554 3/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
MMP9 P14780 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL6746239 0.98 MME (0.42) MMECA2CA1NPSR1CYP1A2
SCHEMBL6746235 0.98 MME (0.42) MMECA2CA1NPSR1CYP1A2
SCHEMBL9510086 0.97 MME (0.41) MMECA2CA1NPSR1CYP1A2
Diethylamine SCHEMBL29401085 0.89 KCNN4 (0.42) MMECA2CYP1A2CYP2D6KCNN4
SCHEMBL29964869 0.87 KIF11 (0.47) MMP2MMP3MMP13MMP9MMP1
SCHEMBL29421922 0.86 LMNA (0.46) MMENPSR1CYP1A2CYP2D6KCNN4
SCHEMBL5413934 0.83 KMT2A (0.43) CYP1A2CYP2D6KCNN4KIF11CTSL
SCHEMBL12379297 0.83 KMT2A (0.43) CYP1A2CYP2D6KCNN4KIF11CTSL
SCHEMBL9510094 0.83 CYP1A2 (0.38) MMECYP1A2CYP2D6KCNN4HDAC3
SCHEMBL1109144 0.83 KMT2A (0.43) CYP1A2CYP2D6KCNN4KIF11CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
EP-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 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-20160257697-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, TPMT, RPL35 MME 836/4885CA2 3580/4885CA1 3698/4885

“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.